[2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate

Systemtic Name: [2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate Openeye Name: [2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-keto-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C16H20BrNO3 MolecularWeight: 354.2389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrNO3/c1-11-4-2-3-5-14(11)18-15(19)10-21-16(20)12-6-8-13(17)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H,18,19)