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

Systemtic Name: methyl 3-[(3-methylphenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(3-methylbenzoyl)amino]benzoate CAS Name: 3-[[(3-methylphenyl)-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(3-methylbenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-(m-toluoylamino)benzoic acid methyl ester Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O3/c1-20-7-6-10-22(17-20)26(31)28-24-18-23(27(32)33-2)11-12-25(24)30-15-13-29(14-16-30)19-21-8-4-3-5-9-21/h3-12,17-18H,13-16,19H2,1-2H3,(H,28,31)