ethyl 4-[4-[[2-(4-chlorophenyl)cyclohexen-1-yl]methyl]piperazin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-[[2-(4-chlorophenyl)cyclohexen-1-yl]methyl]piperazin-1-yl]benzoate Openeye Name: ethyl 4-[4-[[2-(4-chlorophenyl)cyclohexen-1-yl]methyl]piperazin-1-yl]benzoate CAS Name: 4-[4-[[2-(4-chlorophenyl)-1-cyclohexenyl]methyl]-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[[2-(4-chlorophenyl)cyclohexen-1-yl]methyl]piperazin-1-yl]benzoate Traditional Name: 4-[4-[[2-(4-chlorophenyl)cyclohexen-1-yl]methyl]piperazino]benzoic acid ethyl ester Formula: C26H31ClN2O2 MolecularWeight: 438.98954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=C(CCCC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=C(CCCC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H31ClN2O2/c1-2-31-26(30)21-9-13-24(14-10-21)29-17-15-28(16-18-29)19-22-5-3-4-6-25(22)20-7-11-23(27)12-8-20/h7-14H,2-6,15-19H2,1H3