1-cyclohexyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-butan-1-one; ethanedioic acid

Systemtic Name: 1-cyclohexyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-butan-1-one; ethanedioic acid Openeye Name: 1-cyclohexyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-butan-1-one; oxalic acid CAS Name: 1-cyclohexyl-4-[4-(2-methoxyphenyl)-1-piperazinyl]-2-phenyl-1-butanone; oxalic acid IUPAC Name: 1-cyclohexyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one; oxalic acid Traditional Name: 1-cyclohexyl-4-[4-(2-methoxyphenyl)piperazino]-2-phenyl-butan-1-one; oxalic acid Formula: C29H38N2O6 MolecularWeight: 510.62182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC=CC=C3)C(=O)C4CCCCC4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC=CC=C3)C(=O)C4CCCCC4.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H36N2O2.C2H2O4/c1-31-26-15-9-8-14-25(26)29-20-18-28(19-21-29)17-16-24(22-10-4-2-5-11-22)27(30)23-12-6-3-7-13-23;3-1(4)2(5)6/h2,4-5,8-11,14-15,23-24H,3,6-7,12-13,16-21H2,1H3;(H,3,4)(H,5,6)