(+)-Ethyl 5-{(tert-butoxycarbonyl)[2-(2-{[4-(5-methyl-1,3-benzoxazol-2-yl)benzyl]oxy}-phenyl)-ethyl]amino}-5,6,7,8-tetrahydroquinoline-2-carboxylate
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기본 정보
- 표준 SMILES
CCOC(=O)c1ccc2c(n1)CCCC2N(CCc1ccccc1OCc1ccc(-c2nc3cc(C)ccc3o2)cc1)C(=O)OC(C)(C)C- InChIKey
UFRANNUFZCAFNZ-UHFFFAOYSA-N- 분자식
- C40H43N3O6
- 평균 분자량
- 661.8 g/mol
이름 및 식별자
- 우선 이름
- (+)-Ethyl 5-{(tert-butoxycarbonyl)[2-(2-{[4-(5-methyl-1,3-benzoxazol-2-yl)benzyl]oxy}-phenyl)-ethyl]amino}-5,6,7,8-tetrahydroquinoline-2-carboxylate
- IUPAC
- ethyl 5-[2-[2-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methoxy]phenyl]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5,6,7,8-tetrahydroquinoline-2-carboxylate
이름 및 동의어
SCHEMBL15437149UFRANNUFZCAFNZ-UHFFFAOYSA-N(+)-ethyl 5-{(tert-butoxycarbonyl) [2-(2-{[4-(5-methyl-1,3-benzoxazol-2-yl)benzyl]oxy}phenyl)-ethyl]amino}-5,6,7,8-tetrahydroquinoline-2-carboxylate(+)-ethyl 5-{(tert-butoxycarbonyl)[2-(2-{[4-(5-methyl-1,3-benzoxazol-2-yl)benzyl]oxy}-phenyl)-ethyl]amino}-5,6,7,8-tetrahydroquinoline-2-carboxylate(-)-ethyl 5-{(tert-butoxycarbonyl) [2-(2-{[4-(5-methyl-1,3-benzoxazol-2-yl)benzyl]oxy}phenyl)-ethyl]amino}-5,6,7,8-tetrahydroquinoline-2-carboxylate(-)-ethyl 5-{(tert-butoxycarbonyl)[2-(2-{[4-(5-methyl-1,3-benzoxazol-2-yl)-benzyl]oxy}-phenyl)ethyl]amino}-5,6,7,8-tetrahydroquinoline-2-carboxylate(-)-ethyl 5-{(tert-butoxycarbonyl)[2-(2-{[4-(5-methyl-1,3-benzoxazol-2-yl)-benzyl]oxy}phenyl)ethyl]amino}-5,6,7,8-tetrahydroquinoline-2-carboxylate(-)-ethyl 5-{(tert-butoxycarbonyl)[2-(2-{[4-(5-methyl-1,3-benzoxazol-2-yl)benzyl]oxy}phenyl)-ethyl]amino}-5,6,7,8-tetrahydroquinoline-2-carboxylaterac-Ethyl 5-{(tert-butoxycarbonyl) [2-(2-{[4-(5-methyl-1,3-benzoxazol-2-yl)benzyl]oxy}phenyl)-ethyl]amino}-5,6,7,8-tetrahydroquinoline-2-carboxylaterac-Ethyl 5-{(tert-butoxycarbonyl)[2-(2-{[4-(5-methyl-1,3-benzoxazol-2-yl)benzyl]oxy}phenyl)-ethyl]amino}-5,6,7,8-tetrahydroquinoline-2-carboxylate
물성
구조 계산 물성보충 중
- XLogP
- 8.2
- 극성 표면적
- 104 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 49
- 형식 전하
- 0
- 복잡도
- 1,070
관련 반응
4건
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