methyl 4-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[(3S)-3-(4-phenylpiperazin-1-yl)-1-piperidyl]methyl]benzoate CAS Name: 4-[[(3S)-3-(4-phenyl-1-piperazinyl)-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[(3S)-3-(4-phenylpiperazino)piperidino]methyl]benzoic acid methyl ester Formula: C24H31N3O2 MolecularWeight: 393.52184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCC[C@@H](C2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H31N3O2/c1-29-24(28)21-11-9-20(10-12-21)18-25-13-5-8-23(19-25)27-16-14-26(15-17-27)22-6-3-2-4-7-22/h2-4,6-7,9-12,23H,5,8,13-19H2,1H3/t23-/m0/s1