기본 정보
- CAS
397875-19-3- 표준 SMILES
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(OCc2ccc(F)cc2)c(OC)c1- InChIKey
WQOBWRSZOWXOIK-UHFFFAOYSA-N- 분자식
- C29H32FNO5
- 평균 분자량
- 493.6 g/mol
- 단동위원소 질량
- 493.22645128
이름 및 식별자
- 우선 이름
- Ethyl 4-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- IUPAC
- ethyl 4-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
- 영어명
- ethyl 4-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- 분자식
- C29H32FNO5
- 분자량
- 493.5664832
이름 및 동의어
ethyl 4-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateOprea1_492767AK-968/15342069STL173088AKOS003264864ethyl 4-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylateST028581ethyl 4-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateethyl 4-{4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1, 4,6,7,8-pentahydroquinoline-3-carboxylate
데이터베이스 식별자
- CAS
397875-19-3- PubChem CID
- 3904609
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 73.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 901
화학 및 산업
공급사1 곳
SPECS[email protected]
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