[1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-bromanylbenzoate

Systemtic Name: [1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-bromanylbenzoate Openeye Name: [1-methyl-2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-keto-1-methyl-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C17H22BrNO3 MolecularWeight: 368.26548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrNO3/c1-11-6-3-4-9-15(11)19-16(20)12(2)22-17(21)13-7-5-8-14(18)10-13/h5,7-8,10-12,15H,3-4,6,9H2,1-2H3,(H,19,20)