[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

C1CC1NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C20H18N4O3/c25-19(23-16-8-9-16)18(14-4-2-1-3-5-14)27-20(26)15-6-10-17(11-7-15)24-13-21-12-22-24/h1-7,10-13,16,18H,8-9H2,(H,23,25)/t18-/m1/s1