[2-(4-methylphenyl)-2-oxidanylidene-ethyl] (2S)-2-[(4-bromophenyl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] (2S)-2-[(4-bromophenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] (2S)-2-[(4-bromobenzoyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(4-bromophenyl)-oxomethyl]amino]-3-phenylpropanoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] (2S)-2-[(4-bromobenzoyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(4-bromobenzoyl)amino]-3-phenyl-propionic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C25H22BrNO4 MolecularWeight: 480.35048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C25H22BrNO4/c1-17-7-9-19(10-8-17)23(28)16-31-25(30)22(15-18-5-3-2-4-6-18)27-24(29)20-11-13-21(26)14-12-20/h2-14,22H,15-16H2,1H3,(H,27,29)/t22-/m0/s1