ethyl 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(phenylcarbamoylamino)benzoate

Systemtic Name: ethyl 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(phenylcarbamoylamino)benzoate Openeye Name: ethyl 4-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-(phenylcarbamoylamino)benzoate CAS Name: 3-[[anilino(oxo)methyl]amino]-4-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(phenylcarbamoylamino)benzoate Traditional Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-(phenylcarbamoylamino)benzoic acid ethyl ester Formula: C27H29ClN4O3 MolecularWeight: 492.99716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29ClN4O3/c1-3-35-26(33)20-10-12-24(23(17-20)30-27(34)29-22-7-5-4-6-8-22)31-13-15-32(16-14-31)25-18-21(28)11-9-19(25)2/h4-12,17-18H,3,13-16H2,1-2H3,(H2,29,30,34)