(2-naphthalen-1-yl-2-oxidanylidene-ethyl) 3,4-dimethylbenzoate

Systemtic Name: (2-naphthalen-1-yl-2-oxidanylidene-ethyl) 3,4-dimethylbenzoate Openeye Name: [2-(1-naphthyl)-2-oxo-ethyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [2-(1-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-1-yl-2-oxoethyl) 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [2-keto-2-(1-naphthyl)ethyl] ester Formula: C21H18O3 MolecularWeight: 318.36582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CC3=CC=CC=C32)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CC3=CC=CC=C32)C

InChI

InChI=1S/C21H18O3/c1-14-10-11-17(12-15(14)2)21(23)24-13-20(22)19-9-5-7-16-6-3-4-8-18(16)19/h3-12H,13H2,1-2H3