[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3/c25-19(22-12-4-7-16-5-2-1-3-6-16)13-27-20(26)17-8-10-18(11-9-17)24-15-21-14-23-24/h1-3,5-6,8-11,14-15H,4,7,12-13H2,(H,22,25)