기본 정보
- CAS
335402-81-8- 표준 SMILES
CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc(OCc2ccc(Cl)cc2)c(OC)c1- InChIKey
WFLUHNDHWHERFC-UHFFFAOYSA-N- 분자식
- C27H28ClNO5
- 평균 분자량
- 482 g/mol
- 단동위원소 질량
- 481.1656007
이름 및 식별자
- 우선 이름
- Ethyl 4-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- IUPAC
- ethyl 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- 영어명
- ethyl 4-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- 분자식
- C27H28ClNO5
- 분자량
- 481.96792
이름 및 동의어
ethyl 4-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateethyl 4-(4-((4-chlorobenzyl)oxy)-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateethyl 4-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateCBMicro_036400Oprea1_270759Oprea1_581622SCHEMBL3324770STL173079AKOS000532732ethyl 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateST028598BIM-0036470.P001
이름 더 보기
AE-848/15342067335402-81-8ethyl 4-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-2-methyl-5-oxo-1,4,6,7,8 -pentahydroquinoline-3-carboxylate
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 73.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 829
화학 및 산업
공급사1 곳
SPECS[email protected]
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