[2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-bromanylbenzoate

Systemtic Name: [2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-bromanylbenzoate Openeye Name: [2-(N-cyclohexylanilino)-2-oxo-ethyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [2-(N-cyclohexylanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-cyclohexylanilino)-2-oxoethyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-(N-cyclohexylanilino)-2-keto-ethyl] ester Formula: C21H22BrNO3 MolecularWeight: 416.30828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC=C3Br

Isomeric SMILES

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C21H22BrNO3/c22-19-14-8-7-13-18(19)21(25)26-15-20(24)23(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1,3-4,7-10,13-14,17H,2,5-6,11-12,15H2