3-(hydroxymethyl)-7-[[3-(4-oxidanyloxan-2-yl)phenyl]methoxy]-4-pyridin-3-yl-naphthalene-2-carboxylic acid

Systemtic Name: 3-(hydroxymethyl)-7-[[3-(4-oxidanyloxan-2-yl)phenyl]methoxy]-4-pyridin-3-yl-naphthalene-2-carboxylic acid Openeye Name: 3-(hydroxymethyl)-7-[[3-(4-hydroxytetrahydropyran-2-yl)phenyl]methoxy]-4-(3-pyridyl)naphthalene-2-carboxylic acid CAS Name: 3-(hydroxymethyl)-7-[[3-(4-hydroxy-2-oxanyl)phenyl]methoxy]-4-(3-pyridinyl)-2-naphthalenecarboxylic acid IUPAC Name: 3-(hydroxymethyl)-7-[[3-(4-hydroxyoxan-2-yl)phenyl]methoxy]-4-pyridin-3-ylnaphthalene-2-carboxylic acid Traditional Name: 7-[3-(4-hydroxytetrahydropyran-2-yl)benzyl]oxy-3-methylol-4-(3-pyridyl)-2-naphthoic acid Formula: C29H27NO6 MolecularWeight: 485.52778

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CC1O)C2=CC(=CC=C2)COC3=CC4=CC(=C(C(=C4C=C3)C5=CN=CC=C5)CO)C(=O)O

Isomeric SMILES

C1COC(CC1O)C2=CC(=CC=C2)COC3=CC4=CC(=C(C(=C4C=C3)C5=CN=CC=C5)CO)C(=O)O

InChI

InChI=1S/C29H27NO6/c31-16-26-25(29(33)34)13-21-12-23(6-7-24(21)28(26)20-5-2-9-30-15-20)36-17-18-3-1-4-19(11-18)27-14-22(32)8-10-35-27/h1-7,9,11-13,15,22,27,31-32H,8,10,14,16-17H2,(H,33,34)