[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-5-bromanyl-benzoate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-5-bromanyl-benzoate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C16H21BrN2O3 MolecularWeight: 369.25354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)N

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)N

InChI

InChI=1S/C16H21BrN2O3/c1-10-2-5-12(6-3-10)19-15(20)9-22-16(21)13-8-11(17)4-7-14(13)18/h4,7-8,10,12H,2-3,5-6,9,18H2,1H3,(H,19,20)