Methyl 4-{n-[2-(3-(s)methoxymethoxypyrrolidin-1-yl)-1(r)-phenylethyl]-n-methylamino}benzoate

HCID 69950347

기본 정보

표준 SMILES
COCO[C@H]1CCN(C[C@@H](c2ccccc2)N(C)c2ccc(C(=O)OC)cc2)C1
InChIKey
KJHKUJYYQGDTDM-VXKWHMMOSA-N
분자식
C23H30N2O4
평균 분자량
398.5 g/mol
단동위원소 질량
398.22055744

이름 및 식별자

우선 이름
Methyl 4-{n-[2-(3-(s)methoxymethoxypyrrolidin-1-yl)-1(r)-phenylethyl]-n-methylamino}benzoate
IUPAC
methyl 4-[[(1R)-2-[(3S)-3-(methoxymethoxy)pyrrolidin-1-yl]-1-phenylethyl]-methylamino]benzoate

이름 및 동의어

SCHEMBL6977698KJHKUJYYQGDTDM-VXKWHMMOSA-NMethyl 4-{N-[2-(3-(S)-methoxymethoxypyrrolidin-1-yl)-1-(R)-phenylethyl]-N-methylamino}benzoatemethyl 4-{n-[2-(3-(s)methoxymethoxypyrrolidin-1-yl)-1(r)-phenylethyl]-n-methylamino}benzoatemethyl 4-{n-[2-(3-(s)methoxymethoxypyrrolidin-1-yl)-1-(r)-phenylethyl]-n-methylamino}benzoateMethyl4-{N-[2-(3-(S)-methoxymethoxypyrrolidin-1-yl)-1-(R)-phenylethyl]-N-methylamino }benzoate

데이터베이스 식별자

PubChem CID
69950347

물성

구조 계산 물성

XLogP
3.5
극성 표면적
51.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
10
무거운 원자 수
29

관련 반응

6건

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