(2-naphthalen-1-yl-2-oxidanylidene-ethyl) (3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanoate

Systemtic Name: (2-naphthalen-1-yl-2-oxidanylidene-ethyl) (3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanoate Openeye Name: [2-(1-naphthyl)-2-oxo-ethyl] (3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanoate CAS Name: (3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanoic acid [2-(1-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-1-yl-2-oxoethyl) (3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanoate Traditional Name: (3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butyric acid [2-keto-2-(1-naphthyl)ethyl] ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=N1)C)C(C)CC(=O)OCC(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=NN(C(=N1)C)[C@H](C)CC(=O)OCC(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C20H21N3O3/c1-13(23-15(3)21-14(2)22-23)11-20(25)26-12-19(24)18-10-6-8-16-7-4-5-9-17(16)18/h4-10,13H,11-12H2,1-3H3/t13-/m1/s1