[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-phenyl-pentanoate

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-phenyl-pentanoate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 3-methyl-2-phenyl-pentanoate CAS Name: 3-methyl-2-phenylpentanoic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] 3-methyl-2-phenylpentanoate Traditional Name: 3-methyl-2-phenyl-valeric acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H24BrNO3 MolecularWeight: 418.32416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CCC(C)C(C1=CC=CC=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C21H24BrNO3/c1-4-14(2)19(16-8-6-5-7-9-16)21(25)26-15(3)20(24)23-18-12-10-17(22)11-13-18/h5-15,19H,4H2,1-3H3,(H,23,24)