3-(hydroxymethyl)-7-[[5-(4-oxidanyloxan-2-yl)pyridin-3-yl]methoxy]-4-thiophen-3-yl-naphthalene-2-carboxylic acid

Systemtic Name: 3-(hydroxymethyl)-7-[[5-(4-oxidanyloxan-2-yl)pyridin-3-yl]methoxy]-4-thiophen-3-yl-naphthalene-2-carboxylic acid Openeye Name: 3-(hydroxymethyl)-7-[[5-(4-hydroxytetrahydropyran-2-yl)-3-pyridyl]methoxy]-4-(3-thienyl)naphthalene-2-carboxylic acid CAS Name: 3-(hydroxymethyl)-7-[[5-(4-hydroxy-2-oxanyl)-3-pyridinyl]methoxy]-4-(3-thiophenyl)-2-naphthalenecarboxylic acid IUPAC Name: 3-(hydroxymethyl)-7-[[5-(4-hydroxyoxan-2-yl)pyridin-3-yl]methoxy]-4-thiophen-3-ylnaphthalene-2-carboxylic acid Traditional Name: 7-[[5-(4-hydroxytetrahydropyran-2-yl)-3-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=CC(=CN=C2)COC3=CC4=CC(=C(C(=C4C=C3)C5=CSC=C5)CO)C(=O)O

Isomeric SMILES

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

InChI

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