4-[1-(carboxymethyl)-4-methyl-pyrrol-2-yl]oxy-1-oxidanyl-naphthalene-2-carboxylic acid

Systemtic Name: 4-[1-(carboxymethyl)-4-methyl-pyrrol-2-yl]oxy-1-oxidanyl-naphthalene-2-carboxylic acid Openeye Name: 4-[1-(carboxymethyl)-4-methyl-pyrrol-2-yl]oxy-1-hydroxy-naphthalene-2-carboxylic acid CAS Name: 4-[[1-(carboxymethyl)-4-methyl-2-pyrrolyl]oxy]-1-hydroxy-2-naphthalenecarboxylic acid IUPAC Name: 4-[1-(carboxymethyl)-4-methylpyrrol-2-yl]oxy-1-hydroxynaphthalene-2-carboxylic acid Traditional Name: 4-[1-(carboxymethyl)-4-methyl-pyrrol-2-yl]oxy-1-hydroxy-2-naphthoic acid Formula: C18H15NO6 MolecularWeight: 341.3148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=C1)OC2=CC(=C(C3=CC=CC=C32)O)C(=O)O)CC(=O)O

Isomeric SMILES

CC1=CN(C(=C1)OC2=CC(=C(C3=CC=CC=C32)O)C(=O)O)CC(=O)O

InChI

InChI=1S/C18H15NO6/c1-10-6-15(19(8-10)9-16(20)21)25-14-7-13(18(23)24)17(22)12-5-3-2-4-11(12)14/h2-8,22H,9H2,1H3,(H,20,21)(H,23,24)