[1-oxidanylidene-1-[(4-phenylmethoxyphenyl)amino]propan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [1-oxidanylidene-1-[(4-phenylmethoxyphenyl)amino]propan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-(4-benzyloxyanilino)-1-methyl-2-oxo-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-(4-benzoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C25H22N4O4/c1-18(33-25(31)20-7-11-22(12-8-20)29-17-26-16-27-29)24(30)28-21-9-13-23(14-10-21)32-15-19-5-3-2-4-6-19/h2-14,16-18H,15H2,1H3,(H,28,30)