[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3,5-dimethylphenyl)carbonylamino]ethanoate

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3,5-dimethylphenyl)carbonylamino]ethanoate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate CAS Name: 2-[[(3,5-dimethylphenyl)-oxomethyl]amino]acetic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-[(3,5-dimethylbenzoyl)amino]acetate Traditional Name: 2-[(3,5-dimethylbenzoyl)amino]acetic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCC(=O)OC(C)C(=O)NC2=CC=CC=C2C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCC(=O)OC(C)C(=O)NC2=CC=CC=C2C#N)C

InChI

InChI=1S/C21H21N3O4/c1-13-8-14(2)10-17(9-13)21(27)23-12-19(25)28-15(3)20(26)24-18-7-5-4-6-16(18)11-22/h4-10,15H,12H2,1-3H3,(H,23,27)(H,24,26)