2-(4-Acetylaminobenzoyloxy)ethyl 2,6-dimethyl-5-methoxycarbonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

HCID 3648746
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기본 정보

표준 SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC(=O)c2ccc(NC(C)=O)cc2)C1c1cccc([N+](=O)[O-])c1
InChIKey
ZWRFWSGNRQBKAH-UHFFFAOYSA-N
분자식
C27H27N3O9
평균 분자량
537.5 g/mol

이름 및 식별자

우선 이름
2-(4-Acetylaminobenzoyloxy)ethyl 2,6-dimethyl-5-methoxycarbonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
IUPAC
5-O-[2-(4-acetamidobenzoyl)oxyethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

이름 및 동의어

2-(4-acetylaminobenzoyloxy)ethyl 2,6-dimethyl-5-methoxycarbonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylateZWRFWSGNRQBKAH-UHFFFAOYSA-NAQ-405/42300213SCHEMBL106700505-O-[2-(4-acetamidobenzoyl)oxyethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate3-(2-{[4-(acetylamino)benzoyl]oxy}ethyl) 5-methyl 4-{3-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate

데이터베이스 식별자

PubChem CID
3648746

물성

구조 계산 물성

XLogP
3.2
극성 표면적
166 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
10
회전 가능 결합 수
11
무거운 원자 수
39

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