[1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-benzamidopropanoate

Systemtic Name: [1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-benzamidopropanoate Openeye Name: [2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4/c1-13-10-11-14(2)18(12-13)23-19(24)16(4)27-21(26)15(3)22-20(25)17-8-6-5-7-9-17/h5-12,15-16H,1-4H3,(H,22,25)(H,23,24)/t15-,16?/m0/s1