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

Systemtic Name: methyl 4-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-piperidyl]methyl]benzoate CAS Name: 4-[[(3S)-3-[4-(4-methoxyphenyl)-1-piperazinyl]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[(3S)-3-[4-(4-methoxyphenyl)piperazino]piperidino]methyl]benzoic acid methyl ester Formula: C25H33N3O3 MolecularWeight: 423.54782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3CCCN(C3)CC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)[C@H]3CCCN(C3)CC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H33N3O3/c1-30-24-11-9-22(10-12-24)27-14-16-28(17-15-27)23-4-3-13-26(19-23)18-20-5-7-21(8-6-20)25(29)31-2/h5-12,23H,3-4,13-19H2,1-2H3/t23-/m0/s1