기본 정보
- CAS
445032-81-5- 표준 SMILES
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(OC)c(COc2ccc(C)cc2)c1- InChIKey
ZGRBULHHCNBERK-UHFFFAOYSA-N- 분자식
- C30H35NO5
- 평균 분자량
- 489.6 g/mol
- 단동위원소 질량
- 489.25152322
이름 및 식별자
- 우선 이름
- Ethyl 4-{4-methoxy-3-[(4-methylphenoxy)methyl]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- IUPAC
- ethyl 4-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
- 영어명
- ethyl 4-{4-methoxy-3-[(4-methylphenoxy)methyl]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- 분자식
- C30H35NO5
- 분자량
- 489.6026
이름 및 동의어
ethyl 4-{4-methoxy-3-[(4-methylphenoxy)methyl]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateAK-968/41021425ethyl 4-{4-methoxy-3-[(4-methylphenoxy)methyl]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateSTL173744AKOS005369059ethyl 4-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate445032-81-5ethyl 4-(4-methoxy-3-((p-tolyloxy)methyl)phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
데이터베이스 식별자
- CAS
445032-81-5- PubChem CID
- 4232691
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 73.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 895
화학 및 산업
공급사1 곳
SPECS[email protected]
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