(4-methylcyclohexyl) 4-[[2,5-bis(bromanyl)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (4-methylcyclohexyl) 4-[[2,5-bis(bromanyl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: (4-methylcyclohexyl) 4-(2,5-dibromoanilino)-4-oxo-butanoate CAS Name: 4-(2,5-dibromoanilino)-4-oxobutanoic acid (4-methylcyclohexyl) ester IUPAC Name: (4-methylcyclohexyl) 4-(2,5-dibromoanilino)-4-oxobutanoate Traditional Name: 4-(2,5-dibromoanilino)-4-keto-butyric acid (4-methylcyclohexyl) ester Formula: C17H21Br2NO3 MolecularWeight: 447.16154

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)OC(=O)CCC(=O)NC2=C(C=CC(=C2)Br)Br

Isomeric SMILES

CC1CCC(CC1)OC(=O)CCC(=O)NC2=C(C=CC(=C2)Br)Br

InChI

InChI=1S/C17H21Br2NO3/c1-11-2-5-13(6-3-11)23-17(22)9-8-16(21)20-15-10-12(18)4-7-14(15)19/h4,7,10-11,13H,2-3,5-6,8-9H2,1H3,(H,20,21)