3-{3-[3-(2-Ethoxycarbonyl-2-methylpropyl)-benzoyl]phenyl}-2,2-dimethylpropionic acid ethyl ester

HCID 11259192

기본 정보

표준 SMILES
CCOC(=O)C(C)(C)Cc1cccc(C(=O)c2cccc(CC(C)(C)C(=O)OCC)c2)c1
InChIKey
STWOCIVTROKYMH-UHFFFAOYSA-N
분자식
C27H34O5
평균 분자량
438.6 g/mol

이름 및 식별자

우선 이름
3-{3-[3-(2-Ethoxycarbonyl-2-methylpropyl)-benzoyl]phenyl}-2,2-dimethylpropionic acid ethyl ester
IUPAC
ethyl 3-[3-[3-(3-ethoxy-2,2-dimethyl-3-oxopropyl)benzoyl]phenyl]-2,2-dimethylpropanoate

이름 및 동의어

SCHEMBL186711STWOCIVTROKYMH-UHFFFAOYSA-N3-{3-[3-(2-ethoxycarbonyl-2-methyl-propyl)-benzoyl]-phenyl}-2,2-dimethyl -prop ionic acid ethyl ester3-{3-[3-(2-ethoxycarbonyl-2-methyl-propyl)-benzoyl]-phenyl}-2,2-dimethyl-propionic acid ethyl ester3-{3-[3-(2-ethoxycarbonyl-2-methyl-propyl)-benzoyl]-phenyl}-2,2-dimethylpropionic acid ethyl ester3-{3-[3-(2-ethoxycarbonyl-2-methylpropyl)-benzoyl]-phenyl}-2,2-dimethylpropionic acid ethyl ester3-{3-[3-(2-ethoxycarbonyl-2-methylpropyl)-benzoyl]phenyl}-2,2-dimethylpropionic acid ethyl ester

데이터베이스 식별자

PubChem CID
11259192

물성

구조 계산 물성

XLogP
6
극성 표면적
69.7 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
12
무거운 원자 수
32

관련 반응

16건

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