[2-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [2-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-[(1-benzyl-2-methoxy-2-oxo-ethyl)amino]-2-oxo-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-[(1-benzyl-2-keto-2-methoxy-ethyl)amino]-2-keto-ethyl] ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C21H20N4O5/c1-29-21(28)18(11-15-5-3-2-4-6-15)24-19(26)12-30-20(27)16-7-9-17(10-8-16)25-14-22-13-23-25/h2-10,13-14,18H,11-12H2,1H3,(H,24,26)