[2-[2,4-di(propan-2-yl)phenyl]-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-[2,4-di(propan-2-yl)phenyl]-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(2,4-diisopropylphenyl)-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(2,4-diisopropylphenyl)-2-keto-ethyl] ester Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C(C)C

InChI

InChI=1S/C24H26N2O4/c1-15(2)18-7-10-20(21(13-18)16(3)4)22(27)14-30-24(29)17-5-8-19(9-6-17)26-23(28)11-12-25/h5-10,13,15-16H,11,14H2,1-4H3,(H,26,28)