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

Systemtic Name: 4-[5-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-2-methyl-pyrrol-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 4-[5-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-2-methyl-pyrrol-1-yl]-2-hydroxy-benzoic acid CAS Name: 4-[5-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-2-methyl-1-pyrrolyl]-2-hydroxybenzoic acid IUPAC Name: 4-[5-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-2-methylpyrrol-1-yl]-2-hydroxybenzoic acid Traditional Name: 4-[3-carbethoxy-5-(3,4-dimethoxyphenyl)-2-methyl-pyrrol-1-yl]-2-hydroxy-benzoic acid Formula: C23H23NO7 MolecularWeight: 425.43122

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H23NO7/c1-5-31-23(28)17-12-18(14-6-9-20(29-3)21(10-14)30-4)24(13(17)2)15-7-8-16(22(26)27)19(25)11-15/h6-12,25H,5H2,1-4H3,(H,26,27)