methyl 2-bromanyl-3-[(6-oxidanylidene-4-pentyl-cyclohexen-1-yl)amino]benzoate

Systemtic Name: methyl 2-bromanyl-3-[(6-oxidanylidene-4-pentyl-cyclohexen-1-yl)amino]benzoate Openeye Name: methyl 2-bromo-3-[(6-oxo-4-pentyl-cyclohexen-1-yl)amino]benzoate CAS Name: 2-bromo-3-[(6-oxo-4-pentyl-1-cyclohexenyl)amino]benzoic acid methyl ester IUPAC Name: methyl 2-bromo-3-[(6-oxo-4-pentylcyclohexen-1-yl)amino]benzoate Traditional Name: 3-[(4-amyl-6-keto-cyclohexen-1-yl)amino]-2-bromo-benzoic acid methyl ester Formula: C19H24BrNO3 MolecularWeight: 394.30276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CC=C(C(=O)C1)NC2=CC=CC(=C2Br)C(=O)OC

Isomeric SMILES

CCCCCC1CC=C(C(=O)C1)NC2=CC=CC(=C2Br)C(=O)OC

InChI

InChI=1S/C19H24BrNO3/c1-3-4-5-7-13-10-11-15(17(22)12-13)21-16-9-6-8-14(18(16)20)19(23)24-2/h6,8-9,11,13,21H,3-5,7,10,12H2,1-2H3