methyl 4-[4-[(2-bromanyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]phenyl]butanoate

Systemtic Name: methyl 4-[4-[(2-bromanyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]phenyl]butanoate Openeye Name: methyl 4-[4-[(2-bromo-5,5-dimethyl-3-oxo-cyclohexen-1-yl)amino]phenyl]butanoate CAS Name: 4-[4-[(2-bromo-5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[(2-bromo-5,5-dimethyl-3-oxocyclohexen-1-yl)amino]phenyl]butanoate Traditional Name: 4-[4-[(2-bromo-3-keto-5,5-dimethyl-cyclohexen-1-yl)amino]phenyl]butyric acid methyl ester Formula: C19H24BrNO3 MolecularWeight: 394.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)Br)NC2=CC=C(C=C2)CCCC(=O)OC)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)Br)NC2=CC=C(C=C2)CCCC(=O)OC)C

InChI

InChI=1S/C19H24BrNO3/c1-19(2)11-15(18(20)16(22)12-19)21-14-9-7-13(8-10-14)5-4-6-17(23)24-3/h7-10,21H,4-6,11-12H2,1-3H3