[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-3-methyl-pentanoate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-3-methyl-pentanoate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] 2-[(4-chlorobenzoyl)amino]-3-methyl-pentanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-3-methylpentanoic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-3-methylpentanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-3-methyl-valeric acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C21H22BrClN2O4 MolecularWeight: 481.76738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCC(=O)NC1=CC(=CC=C1)Br)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(C)C(C(=O)OCC(=O)NC1=CC(=CC=C1)Br)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H22BrClN2O4/c1-3-13(2)19(25-20(27)14-7-9-16(23)10-8-14)21(28)29-12-18(26)24-17-6-4-5-15(22)11-17/h4-11,13,19H,3,12H2,1-2H3,(H,24,26)(H,25,27)