ethyl 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-(phenylcarbamoylamino)benzoate

Systemtic Name: ethyl 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-(phenylcarbamoylamino)benzoate Openeye Name: ethyl 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-(phenylcarbamoylamino)benzoate CAS Name: 3-[[anilino(oxo)methyl]amino]-4-[4-(3-chlorophenyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-(phenylcarbamoylamino)benzoate Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-3-(phenylcarbamoylamino)benzoic acid ethyl ester Formula: C26H27ClN4O3 MolecularWeight: 478.97058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN4O3/c1-2-34-25(32)19-11-12-24(23(17-19)29-26(33)28-21-8-4-3-5-9-21)31-15-13-30(14-16-31)22-10-6-7-20(27)18-22/h3-12,17-18H,2,13-16H2,1H3,(H2,28,29,33)