[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate

Systemtic Name: [1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: [2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-[(3-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-toluoylamino)propionic acid [2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C(C)NC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)[C@H](C)NC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C22H26N2O4/c1-5-17-9-11-19(12-10-17)24-20(25)16(4)28-22(27)15(3)23-21(26)18-8-6-7-14(2)13-18/h6-13,15-16H,5H2,1-4H3,(H,23,26)(H,24,25)/t15-,16?/m0/s1