Methyl 4-{N-[1-(R)-(3-methoxymethoxyphenyl)-2-(3-(S)-methoxymethoxypyrrolidin-1-yl)-ethyl]-N-methylamino}benzoate

HCID 20640606

기본 정보

표준 SMILES
COCOc1cccc([C@H](CN2CC[C@H](OCOC)C2)N(C)c2ccc(C(=O)OC)cc2)c1
InChIKey
DNJIUPCQPLUXDO-ZEQRLZLVSA-N
분자식
C25H34N2O6
평균 분자량
458.5 g/mol

이름 및 식별자

우선 이름
Methyl 4-{N-[1-(R)-(3-methoxymethoxyphenyl)-2-(3-(S)-methoxymethoxypyrrolidin-1-yl)-ethyl]-N-methylamino}benzoate
IUPAC
methyl 4-[[(1R)-1-[3-(methoxymethoxy)phenyl]-2-[(3S)-3-(methoxymethoxy)pyrrolidin-1-yl]ethyl]-methylamino]benzoate

이름 및 동의어

SCHEMBL6977684DNJIUPCQPLUXDO-ZEQRLZLVSA-NMethyl 4-{N-[1-(R)-(3-methoxymethoxyphenyl)-2-(3-(S)-methoxymethoxypyrrolidin-1-yl)-ethyl]- -N-methylamino}benzoatemethyl 4-{n-[1-(r)-(3-methoxymethoxyphenyl)-2-(3-(s)-methoxymethoxypyrrolidin-1-yl)-ethyl]-n-methylamino }benzoateMethyl 4-{N-[1-(R)-(3-methoxymethoxyphenyl)-2-(3-(S)-methoxymethoxypyrrolidin-1-yl)-ethyl]-N-methylamino}benzoate

데이터베이스 식별자

PubChem CID
20640606

물성

구조 계산 물성

XLogP
3.4
극성 표면적
69.7 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
8
회전 가능 결합 수
13
무거운 원자 수
33

관련 반응

7건

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