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

Systemtic Name: ethyl 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-[(4-ethoxyphenyl)carbamoylamino]benzoate Openeye Name: ethyl 4-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-[(4-ethoxyphenyl)carbamoylamino]benzoate CAS Name: 4-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-[[(4-ethoxyanilino)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(4-ethoxyphenyl)carbamoylamino]benzoate Traditional Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-(p-phenetylcarbamoylamino)benzoic acid ethyl ester Formula: C29H33ClN4O4 MolecularWeight: 537.04972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C

InChI

InChI=1S/C29H33ClN4O4/c1-4-37-24-11-9-23(10-12-24)31-29(36)32-25-18-21(28(35)38-5-2)7-13-26(25)33-14-16-34(17-15-33)27-19-22(30)8-6-20(27)3/h6-13,18-19H,4-5,14-17H2,1-3H3,(H2,31,32,36)