[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)carbonylamino]butanoate

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)carbonylamino]butanoate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] 4-[(4-chlorobenzoyl)amino]butanoate CAS Name: 4-[[(4-chlorophenyl)-oxomethyl]amino]butanoic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate Traditional Name: 4-[(4-chlorobenzoyl)amino]butyric acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C20H20BrClN2O4 MolecularWeight: 467.7408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H20BrClN2O4/c1-13-11-15(21)6-9-17(13)24-18(25)12-28-19(26)3-2-10-23-20(27)14-4-7-16(22)8-5-14/h4-9,11H,2-3,10,12H2,1H3,(H,23,27)(H,24,25)