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

Systemtic Name: 3-(hydroxymethyl)-7-[[3-(4-oxidanidylmorpholin-4-ium-4-yl)phenyl]methoxy]-4-phenyl-naphthalene-2-carboxylic acid Openeye Name: 3-(hydroxymethyl)-7-[[3-(4-oxidomorpholin-4-ium-4-yl)phenyl]methoxy]-4-phenyl-naphthalene-2-carboxylic acid CAS Name: 3-(hydroxymethyl)-7-[[3-(4-oxido-4-morpholin-4-iumyl)phenyl]methoxy]-4-phenyl-2-naphthalenecarboxylic acid IUPAC Name: 3-(hydroxymethyl)-7-[[3-(4-oxidomorpholin-4-ium-4-yl)phenyl]methoxy]-4-phenylnaphthalene-2-carboxylic acid Traditional Name: 3-methylol-7-[3-(4-oxidomorpholin-4-ium-4-yl)benzyl]oxy-4-phenyl-2-naphthoic acid Formula: C29H27NO6 MolecularWeight: 485.52778

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1(C2=CC=CC(=C2)COC3=CC4=CC(=C(C(=C4C=C3)C5=CC=CC=C5)CO)C(=O)O)[O-]

Isomeric SMILES

C1COCC[N+]1(C2=CC=CC(=C2)COC3=CC4=CC(=C(C(=C4C=C3)C5=CC=CC=C5)CO)C(=O)O)[O-]

InChI

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