名称: 2-{4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazin-1-ylmethyl}cyclopropanecarboxylic acid ethyl ester
IUPAC: ethyl 2-[[4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazin-1-yl]methyl]cyclopropane-1-carboxylate
SMILES:
CCOC(=O)C1CC1CN1CCN(c2ccccc2C2CC(C)(C)CC(C)(C)C2)CC1Canonical SMILES:
CCOC(=O)C1CC1CN2CCN(CC2)C3=CC=CC=C3C4CC(CC(C4)(C)C)(C)C分子式: C27H42N2O2
分子量: 426.60
InChIKey: WZXRZXFSWJYWHG-UHFFFAOYSA-N
InChI:
PubChem CID: 59769404 →InChI=1S/C27H42N2O2/c1-6-31-25(30)23-15-20(23)18-28-11-13-29(14-12-28)24-10-8-7-9-22(24)21-16-26(2,3)19-27(4,5)17-21/h7-10,20-21,23H,6,11-19H2,1-5H3同義語
SCHEMBL4857028WZXRZXFSWJYWHG-UHFFFAOYSA-N2-{4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazin-1-ylmethyl}cyclopropanecarboxylic acid ethyl ester