methyl 4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]benzoate

Systemtic Name: methyl 4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]benzoate Openeye Name: methyl 4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]benzoate CAS Name: 4-[oxo-[2-(4-phenyl-1-piperazinyl)ethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-phenylpiperazin-1-yl)ethylcarbamoyl]benzoate Traditional Name: 4-[2-(4-phenylpiperazino)ethylcarbamoyl]benzoic acid methyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCCN2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCCN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3/c1-27-21(26)18-9-7-17(8-10-18)20(25)22-11-12-23-13-15-24(16-14-23)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,22,25)