3,3,5-Trimethylcyclohexyl 2,6-dimethyl-5-ethoxycarbonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

HCID 20151211

기본 정보

표준 SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC2CC(C)CC(C)(C)C2)C1c1cccc([N+](=O)[O-])c1
InChIKey
QURRECPYNWXPKR-UHFFFAOYSA-N
분자식
C26H34N2O6
평균 분자량
470.6 g/mol

이름 및 식별자

우선 이름
3,3,5-Trimethylcyclohexyl 2,6-dimethyl-5-ethoxycarbonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
IUPAC
3-O-ethyl 5-O-(3,3,5-trimethylcyclohexyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

이름 및 동의어

SCHEMBL10665954QURRECPYNWXPKR-UHFFFAOYSA-N3,3,5-trimethylcyclohexyl 2,6-dimethyl-5-ethoxycarbonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

데이터베이스 식별자

PubChem CID
20151211

물성

구조 계산 물성

XLogP
6
극성 표면적
110 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
7
무거운 원자 수
34

관련 반응

2건

화합물 노트

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3,3,5-Trimethylcyclohexyl 2,6-dimethyl-5-ethoxycarbonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate (HCID 20151211)|Huagongshe