4-[3-ethoxycarbonyl-5-(4-methoxyphenyl)-2-methyl-pyrrol-1-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[3-ethoxycarbonyl-5-(4-methoxyphenyl)-2-methyl-pyrrol-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 4-[3-ethoxycarbonyl-5-(4-methoxyphenyl)-2-methyl-pyrrol-1-yl]-2-hydroxy-benzoic acid CAS Name: 4-[3-ethoxycarbonyl-5-(4-methoxyphenyl)-2-methyl-1-pyrrolyl]-2-hydroxybenzoic acid IUPAC Name: 4-[3-ethoxycarbonyl-5-(4-methoxyphenyl)-2-methylpyrrol-1-yl]-2-hydroxybenzoic acid Traditional Name: 4-[3-carbethoxy-5-(4-methoxyphenyl)-2-methyl-pyrrol-1-yl]-2-hydroxy-benzoic acid Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)OC)C3=CC(=C(C=C3)C(=O)O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)OC)C3=CC(=C(C=C3)C(=O)O)O)C

InChI

InChI=1S/C22H21NO6/c1-4-29-22(27)18-12-19(14-5-8-16(28-3)9-6-14)23(13(18)2)15-7-10-17(21(25)26)20(24)11-15/h5-12,24H,4H2,1-3H3,(H,25,26)