ethyl 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(phenylcarbamoylamino)benzoate

Systemtic Name: ethyl 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(phenylcarbamoylamino)benzoate Openeye Name: ethyl 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(phenylcarbamoylamino)benzoate CAS Name: 3-[[anilino(oxo)methyl]amino]-4-[4-(2,5-dimethylphenyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(phenylcarbamoylamino)benzoate Traditional Name: 4-[4-(2,5-dimethylphenyl)piperazino]-3-(phenylcarbamoylamino)benzoic acid ethyl ester Formula: C28H32N4O3 MolecularWeight: 472.57868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=C(C=CC(=C3)C)C)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=C(C=CC(=C3)C)C)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C28H32N4O3/c1-4-35-27(33)22-12-13-25(24(19-22)30-28(34)29-23-8-6-5-7-9-23)31-14-16-32(17-15-31)26-18-20(2)10-11-21(26)3/h5-13,18-19H,4,14-17H2,1-3H3,(H2,29,30,34)