ethyl 3-[(3,4-dimethylphenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[(3,4-dimethylphenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(3,4-dimethylbenzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(3,4-dimethylphenyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(3,4-dimethylbenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(3,4-dimethylbenzoyl)amino]benzoic acid ethyl ester Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N3O4/c1-4-36-29(35)24-12-13-26(25(19-24)30-27(33)23-11-10-20(2)21(3)18-23)31-14-16-32(17-15-31)28(34)22-8-6-5-7-9-22/h5-13,18-19H,4,14-17H2,1-3H3,(H,30,33)