기본 정보
- 표준 SMILES
COC(=O)CCCCN(CCc1ccccc1OCc1ccc(CCc2ccccc2)cc1)Cc1ccc(C(=O)OC)cc1- InChIKey
OWCHLQYUTRTNRI-UHFFFAOYSA-N- 분자식
- C38H43NO5
- 평균 분자량
- 593.7 g/mol
이름 및 식별자
- 우선 이름
- Methyl 4-(((5-methoxy-5-oxopentyl)(2-((4-phenethylbenzyl)oxy)phenethyl)amino)methyl)benzoate
- IUPAC
- methyl 4-[[(5-methoxy-5-oxopentyl)-[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoate
이름 및 동의어
329773-33-3Methyl 4-(((5-methoxy-5-oxopentyl)(2-((4-phenethylbenzyl)oxy)phenethyl)amino)methyl)benzoateBenzoic acid,4-[[(5-methoxy-5-oxopentyl)[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]-, methyl estermethyl 4-[[(5-methoxy-5-oxopentyl)-[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoateMethyl 4-[((5-methoxy-5-oxopentyl)[2-[(4-phenethylbenzyl)oxy]-phenethyl}amino)methyl]benzoateMethyl 4-[((5-methoxy-5-oxopentyl){2-[(4-phenethylbenzyl)oxy]-phenethyl}amino)methyl]benzoateMethyl 4-[((5-methoxy-5-oxopentyl){2-{(4-phenethylbenzyl)oxy]-phenethyl}amino)methyl]benzoateSCHEMBL2993035C38H43NO5OWCHLQYUTRTNRI-UHFFFAOYSA-NCS-M2051AKOS037650279
이름 더 보기
CS-14560C12527Methyl4-(((5-methoxy-5-oxopentyl)(2-((4-phenethylbenzyl)oxy)phenethyl)amino)methyl)benzoatemethyl 4-[[(5-methoxy-5-oxo-pentyl)-[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoate
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 7.8
- 극성 표면적
- 65.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 797
관련 반응
4건
화합물 노트
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