[2-[(4-bromanyl-5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(cyclohexylamino)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(4-bromanyl-5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(cyclohexylamino)-4-oxidanylidene-butanoate Openeye Name: [2-(4-bromo-5-chloro-2-methyl-anilino)-2-oxo-ethyl] 4-(cyclohexylamino)-4-oxo-butanoate CAS Name: 4-(cyclohexylamino)-4-oxobutanoic acid [2-(4-bromo-5-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-5-chloro-2-methylanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate Traditional Name: 4-(cyclohexylamino)-4-keto-butyric acid [2-(4-bromo-5-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C19H24BrClN2O4 MolecularWeight: 459.76186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)COC(=O)CCC(=O)NC2CCCCC2)Cl)Br

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)COC(=O)CCC(=O)NC2CCCCC2)Cl)Br

InChI

InChI=1S/C19H24BrClN2O4/c1-12-9-14(20)15(21)10-16(12)23-18(25)11-27-19(26)8-7-17(24)22-13-5-3-2-4-6-13/h9-10,13H,2-8,11H2,1H3,(H,22,24)(H,23,25)