2-pyridin-4-ylpropan-2-yl 3,7-bis(oxidanyl)naphthalene-2-carboxylate

Systemtic Name: 2-pyridin-4-ylpropan-2-yl 3,7-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: [1-methyl-1-(4-pyridyl)ethyl] 3,7-dihydroxynaphthalene-2-carboxylate CAS Name: 3,7-dihydroxy-2-naphthalenecarboxylic acid 2-pyridin-4-ylpropan-2-yl ester IUPAC Name: 2-pyridin-4-ylpropan-2-yl 3,7-dihydroxynaphthalene-2-carboxylate Traditional Name: 3,7-dihydroxynaphthalene-2-carboxylic acid [1-methyl-1-(4-pyridyl)ethyl] ester Formula: C19H17NO4 MolecularWeight: 323.34258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=NC=C1)OC(=O)C2=C(C=C3C=CC(=CC3=C2)O)O

Isomeric SMILES

CC(C)(C1=CC=NC=C1)OC(=O)C2=C(C=C3C=CC(=CC3=C2)O)O

InChI

InChI=1S/C19H17NO4/c1-19(2,14-5-7-20-8-6-14)24-18(23)16-10-13-9-15(21)4-3-12(13)11-17(16)22/h3-11,21-22H,1-2H3