ethyl 1,1-dimethyl-3-(2-methylphenyl)-3,4-dihydroisochromene-4-carboxylate

Systemtic Name: ethyl 1,1-dimethyl-3-(2-methylphenyl)-3,4-dihydroisochromene-4-carboxylate Openeye Name: ethyl 1,1-dimethyl-3-(o-tolyl)isochromane-4-carboxylate CAS Name: 1,1-dimethyl-3-(2-methylphenyl)-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid ethyl ester IUPAC Name: ethyl 1,1-dimethyl-3-(2-methylphenyl)-3,4-dihydroisochromene-4-carboxylate Traditional Name: 1,1-dimethyl-3-(o-tolyl)isochroman-4-carboxylic acid ethyl ester Formula: C21H24O3 MolecularWeight: 324.41346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(OC(C2=CC=CC=C12)(C)C)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1C(OC(C2=CC=CC=C12)(C)C)C3=CC=CC=C3C

InChI

InChI=1S/C21H24O3/c1-5-23-20(22)18-16-12-8-9-13-17(16)21(3,4)24-19(18)15-11-7-6-10-14(15)2/h6-13,18-19H,5H2,1-4H3