4-(2-Methoxycarbonyl-ethyl)-3-methyl-5-(2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-1H-pyrrole-2-carboxylic acid ethyl ester

HCID 53777293

기본 정보

표준 SMILES
CCOC(=O)c1[nH]c(C=C2C(=O)Nc3ccccc32)c(CCC(=O)OC)c1C
InChIKey
DSTXIRZFJURXBU-UHFFFAOYSA-N
분자식
C21H22N2O5
평균 분자량
382.4 g/mol

이름 및 식별자

우선 이름
4-(2-Methoxycarbonyl-ethyl)-3-methyl-5-(2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-1H-pyrrole-2-carboxylic acid ethyl ester
IUPAC
ethyl 4-(3-methoxy-3-oxopropyl)-3-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate

이름 및 동의어

SCHEMBL6406128DSTXIRZFJURXBU-UHFFFAOYSA-N4-(2-Methoxycarbonyl-ethyl)-3-methyl-5-(2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-1H-pyrrole-2-carboxylic acid ethyl ester4-(2-Methoxycarbonylethyl)-3-methyl-5-(2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-1H-pyrrole-2-carboxylic acid ethyl ester4-(2-Methoxycarbonylethyl)-3-methyl-5-(2-oxo-1,2-dihydroindol-3-ylidenemethyl)-1H-pyrrole-2-carboxylic acid ethyl ester

데이터베이스 식별자

PubChem CID
53777293

물성

구조 계산 물성

XLogP
2.7
극성 표면적
97.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
5
회전 가능 결합 수
8
무거운 원자 수
28

관련 반응

5건

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