2-pyridin-4-ylpropan-2-yl 4-bromanyl-1-oxidanyl-naphthalene-2-carboxylate

Systemtic Name: 2-pyridin-4-ylpropan-2-yl 4-bromanyl-1-oxidanyl-naphthalene-2-carboxylate Openeye Name: [1-methyl-1-(4-pyridyl)ethyl] 4-bromo-1-hydroxy-naphthalene-2-carboxylate CAS Name: 4-bromo-1-hydroxy-2-naphthalenecarboxylic acid 2-pyridin-4-ylpropan-2-yl ester IUPAC Name: 2-pyridin-4-ylpropan-2-yl 4-bromo-1-hydroxynaphthalene-2-carboxylate Traditional Name: 4-bromo-1-hydroxy-naphthalene-2-carboxylic acid [1-methyl-1-(4-pyridyl)ethyl] ester Formula: C19H16BrNO3 MolecularWeight: 386.23924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=NC=C1)OC(=O)C2=C(C3=CC=CC=C3C(=C2)Br)O

Isomeric SMILES

CC(C)(C1=CC=NC=C1)OC(=O)C2=C(C3=CC=CC=C3C(=C2)Br)O

InChI

InChI=1S/C19H16BrNO3/c1-19(2,12-7-9-21-10-8-12)24-18(23)15-11-16(20)13-5-3-4-6-14(13)17(15)22/h3-11,22H,1-2H3