3-(hydroxymethyl)-7-[[6-(4-oxidanyloxan-2-yl)pyridin-2-yl]methoxy]-4-thiophen-3-yl-naphthalene-2-carboxylic acid

Systemtic Name: 3-(hydroxymethyl)-7-[[6-(4-oxidanyloxan-2-yl)pyridin-2-yl]methoxy]-4-thiophen-3-yl-naphthalene-2-carboxylic acid Openeye Name: 3-(hydroxymethyl)-7-[[6-(4-hydroxytetrahydropyran-2-yl)-2-pyridyl]methoxy]-4-(3-thienyl)naphthalene-2-carboxylic acid CAS Name: 3-(hydroxymethyl)-7-[[6-(4-hydroxy-2-oxanyl)-2-pyridinyl]methoxy]-4-(3-thiophenyl)-2-naphthalenecarboxylic acid IUPAC Name: 3-(hydroxymethyl)-7-[[6-(4-hydroxyoxan-2-yl)pyridin-2-yl]methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid Traditional Name: 7-[[6-(4-hydroxytetrahydropyran-2-yl)-2-pyridyl]methoxy]-3-methylol-4-(3-thienyl)-2-naphthoic acid Formula: C27H25NO6S MolecularWeight: 491.5555

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25NO6S/c29-13-23-22(27(31)32)11-17-10-20(4-5-21(17)26(23)16-7-9-35-15-16)34-14-18-2-1-3-24(28-18)25-12-19(30)6-8-33-25/h1-5,7,9-11,15,19,25,29-30H,6,8,12-14H2,(H,31,32)