4-(2-Carboxyethyl)-5-[6-(3-ethoxyphenyl)-2-oxo-1,2-dihydroindol-3-ylidenemethyl]-3-methyl-1H-pyrrole-2-carboxylic acid

HCID 53692116

기본 정보

표준 SMILES
CCOc1cccc(-c2ccc3c(c2)NC(=O)C3=Cc2[nH]c(C(=O)O)c(C)c2CCC(=O)O)c1
InChIKey
BNYMQKNAABYBRA-UHFFFAOYSA-N
분자식
C26H24N2O6
평균 분자량
460.5 g/mol

이름 및 식별자

우선 이름
4-(2-Carboxyethyl)-5-[6-(3-ethoxyphenyl)-2-oxo-1,2-dihydroindol-3-ylidenemethyl]-3-methyl-1H-pyrrole-2-carboxylic acid
IUPAC
4-(2-carboxyethyl)-5-[[6-(3-ethoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-3-methyl-1H-pyrrole-2-carboxylic acid

이름 및 동의어

SCHEMBL6406332BNYMQKNAABYBRA-UHFFFAOYSA-N4-(2-Carboxy-ethyl)-5-[6-(3-ethoxy-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-3-methyl-1H-pyrrole-2-carboxylic acid4-(2-Carboxyethyl)-5-[6-(3-ethoxyphenyl)-2-oxo-1,2-dihydroindol-3-ylidenemethyl]-3-methyl-1H-pyrrole-2-carboxylic acid

데이터베이스 식별자

PubChem CID
53692116

물성

구조 계산 물성

XLogP
3.7
극성 표면적
129 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
6
회전 가능 결합 수
8
무거운 원자 수
34

관련 반응

5건

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