[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-tert-butylphenyl)carbonylamino]ethanoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-tert-butylphenyl)carbonylamino]ethanoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]acetic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]acetic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H25N3O4 MolecularWeight: 407.4623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CNC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CNC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C23H25N3O4/c1-15(21(28)26-19-7-5-6-16(12-19)13-24)30-20(27)14-25-22(29)17-8-10-18(11-9-17)23(2,3)4/h5-12,15H,14H2,1-4H3,(H,25,29)(H,26,28)