[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylpropanoate

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylpropanoate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18BrNO3 MolecularWeight: 376.24442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C18H18BrNO3/c1-13(18(22)20-16-10-8-15(19)9-11-16)23-17(21)12-7-14-5-3-2-4-6-14/h2-6,8-11,13H,7,12H2,1H3,(H,20,22)