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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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