ethyl 3-[(4-methylphenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[(4-methylphenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[(4-methylbenzoyl)amino]benzoate CAS Name: 3-[[(4-methylphenyl)-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[(4-methylbenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-(p-toluoylamino)benzoic acid ethyl ester Formula: C28H31N3O3 MolecularWeight: 457.56404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H31N3O3/c1-3-34-28(33)24-13-14-26(25(19-24)29-27(32)23-11-9-21(2)10-12-23)31-17-15-30(16-18-31)20-22-7-5-4-6-8-22/h4-14,19H,3,15-18,20H2,1-2H3,(H,29,32)