[(4-cyclohexylpiperazin-1-yl)-phenyl-methyl] (1S,2S)-2-methoxy-1-(4-methoxyphenyl)cyclopropane-1-carboxylate dihydrochloride

Systemtic Name: [(4-cyclohexylpiperazin-1-yl)-phenyl-methyl] (1S,2S)-2-methoxy-1-(4-methoxyphenyl)cyclopropane-1-carboxylate dihydrochloride Openeye Name: [(4-cyclohexylpiperazin-1-yl)-phenyl-methyl] (1S,2S)-2-methoxy-1-(4-methoxyphenyl)cyclopropanecarboxylate dihydrochloride CAS Name: (1S,2S)-2-methoxy-1-(4-methoxyphenyl)-1-cyclopropanecarboxylic acid [(4-cyclohexyl-1-piperazinyl)-phenylmethyl] ester dihydrochloride IUPAC Name: [(4-cyclohexylpiperazin-1-yl)-phenylmethyl] (1S,2S)-2-methoxy-1-(4-methoxyphenyl)cyclopropane-1-carboxylate dihydrochloride Traditional Name: (1S,2S)-2-methoxy-1-(4-methoxyphenyl)cyclopropanecarboxylic acid [(4-cyclohexylpiperazino)-phenyl-methyl] ester dihydrochloride Formula: C29H40Cl2N2O4 MolecularWeight: 551.5449

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC1(C2=CC=C(C=C2)OC)C(=O)OC(C3=CC=CC=C3)N4CCN(CC4)C5CCCCC5.Cl.Cl

Isomeric SMILES

CO[C@H]1C[C@@]1(C2=CC=C(C=C2)OC)C(=O)OC(C3=CC=CC=C3)N4CCN(CC4)C5CCCCC5.Cl.Cl

InChI

InChI=1S/C29H38N2O4.2ClH/c1-33-25-15-13-23(14-16-25)29(21-26(29)34-2)28(32)35-27(22-9-5-3-6-10-22)31-19-17-30(18-20-31)24-11-7-4-8-12-24;;/h3,5-6,9-10,13-16,24,26-27H,4,7-8,11-12,17-21H2,1-2H3;2*1H/t26-,27?,29-;;/m0../s1