methyl 4-[[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]carbamoyl]benzoate Openeye Name: methyl 4-[[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]carbamoyl]benzoate CAS Name: 4-[[[2-(4-dimethylaminophenyl)-2-(4-phenyl-1-piperazinyl)ethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]carbamoyl]benzoate Traditional Name: 4-[[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazino)ethyl]carbamoyl]benzoic acid methyl ester Formula: C29H34N4O3 MolecularWeight: 486.60526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)C(=O)OC)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)C(=O)OC)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C29H34N4O3/c1-31(2)25-15-13-22(14-16-25)27(33-19-17-32(18-20-33)26-7-5-4-6-8-26)21-30-28(34)23-9-11-24(12-10-23)29(35)36-3/h4-16,27H,17-21H2,1-3H3,(H,30,34)