methyl 4-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[3-[4-(o-tolyl)piperazin-1-yl]-1-piperidyl]methyl]benzoate CAS Name: 4-[[3-[4-(2-methylphenyl)-1-piperazinyl]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[3-[4-(o-tolyl)piperazino]piperidino]methyl]benzoic acid methyl ester Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3CCCN(C3)CC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3CCCN(C3)CC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H33N3O2/c1-20-6-3-4-8-24(20)28-16-14-27(15-17-28)23-7-5-13-26(19-23)18-21-9-11-22(12-10-21)25(29)30-2/h3-4,6,8-12,23H,5,7,13-19H2,1-2H3