methyl 4-[4-[4-(4,4-dimethylcyclohexyl)piperazin-1-yl]phenyl]benzoate

Systemtic Name: methyl 4-[4-[4-(4,4-dimethylcyclohexyl)piperazin-1-yl]phenyl]benzoate Openeye Name: methyl 4-[4-[4-(4,4-dimethylcyclohexyl)piperazin-1-yl]phenyl]benzoate CAS Name: 4-[4-[4-(4,4-dimethylcyclohexyl)-1-piperazinyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[4-(4,4-dimethylcyclohexyl)piperazin-1-yl]phenyl]benzoate Traditional Name: 4-[4-[4-(4,4-dimethylcyclohexyl)piperazino]phenyl]benzoic acid methyl ester Formula: C26H34N2O2 MolecularWeight: 406.56036

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CC1(CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C26H34N2O2/c1-26(2)14-12-24(13-15-26)28-18-16-27(17-19-28)23-10-8-21(9-11-23)20-4-6-22(7-5-20)25(29)30-3/h4-11,24H,12-19H2,1-3H3