[2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate

Systemtic Name: [2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate Openeye Name: [2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [2-keto-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C17H22BrNO4 MolecularWeight: 384.26488

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CC1CCCCC1NC(=O)COC(=O)C2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C17H22BrNO4/c1-11-5-3-4-6-14(11)19-16(20)10-23-17(21)12-7-8-15(22-2)13(18)9-12/h7-9,11,14H,3-6,10H2,1-2H3,(H,19,20)