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

Systemtic Name: methyl 3-[(3,4-dimethylphenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(3,4-dimethylbenzoyl)amino]benzoate CAS Name: 3-[[(3,4-dimethylphenyl)-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(3,4-dimethylbenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[(3,4-dimethylbenzoyl)amino]benzoic acid methyl ester Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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