[1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-[(2-methoxyphenyl)methylamino]-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-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-keto-1-methyl-2-(o-anisylamino)ethyl] ester Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1OC)OC(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1OC)OC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C20H20N4O4/c1-14(19(25)22-11-16-5-3-4-6-18(16)27-2)28-20(26)15-7-9-17(10-8-15)24-13-21-12-23-24/h3-10,12-14H,11H2,1-2H3,(H,22,25)