[1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate

Systemtic Name: [1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: [2-oxo-1,2-bis(p-tolyl)ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid [1,2-bis(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [1,2-bis(4-methylphenyl)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-toluoylamino)propionic acid [2-keto-1,2-bis(p-tolyl)ethyl] ester Formula: C27H27NO4 MolecularWeight: 429.50758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)OC(=O)C(C)NC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)OC(=O)[C@H](C)NC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C27H27NO4/c1-17-8-12-21(13-9-17)24(29)25(22-14-10-18(2)11-15-22)32-27(31)20(4)28-26(30)23-7-5-6-19(3)16-23/h5-16,20,25H,1-4H3,(H,28,30)/t20-,25?/m0/s1