[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(2-methoxy-5-methyl-anilino)-2-oxo-1-phenyl-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-keto-2-(2-methoxy-5-methyl-anilino)-1-phenyl-ethyl] ester Formula: C26H23N3O5 MolecularWeight: 457.47792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C26H23N3O5/c1-17-8-13-22(33-2)21(16-17)29-25(31)24(18-6-4-3-5-7-18)34-26(32)19-9-11-20(12-10-19)28-23(30)14-15-27/h3-13,16,24H,14H2,1-2H3,(H,28,30)(H,29,31)