[2-(2,2-diphenylethylamino)-2-oxidanylidene-ethyl] 3-[(2-methylphenyl)carbonylamino]propanoate

Systemtic Name: [2-(2,2-diphenylethylamino)-2-oxidanylidene-ethyl] 3-[(2-methylphenyl)carbonylamino]propanoate Openeye Name: [2-(2,2-diphenylethylamino)-2-oxo-ethyl] 3-[(2-methylbenzoyl)amino]propanoate CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]propanoic acid [2-(2,2-diphenylethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,2-diphenylethylamino)-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate Traditional Name: 3-(o-toluoylamino)propionic acid [2-(2,2-diphenylethylamino)-2-keto-ethyl] ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)OCC(=O)NCC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)OCC(=O)NCC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H28N2O4/c1-20-10-8-9-15-23(20)27(32)28-17-16-26(31)33-19-25(30)29-18-24(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-15,24H,16-19H2,1H3,(H,28,32)(H,29,30)