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

Systemtic Name: 2-[3-ethoxycarbonyl-5-(4-methoxyphenyl)-2-methyl-pyrrol-1-yl]benzoic acid Openeye Name: 2-[3-ethoxycarbonyl-5-(4-methoxyphenyl)-2-methyl-pyrrol-1-yl]benzoic acid CAS Name: 2-[3-ethoxycarbonyl-5-(4-methoxyphenyl)-2-methyl-1-pyrrolyl]benzoic acid IUPAC Name: 2-[3-ethoxycarbonyl-5-(4-methoxyphenyl)-2-methylpyrrol-1-yl]benzoic acid Traditional Name: 2-[3-carbethoxy-5-(4-methoxyphenyl)-2-methyl-pyrrol-1-yl]benzoic acid Formula: C22H21NO5 MolecularWeight: 379.40584

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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=CC=C3C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)OC)C3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C22H21NO5/c1-4-28-22(26)18-13-20(15-9-11-16(27-3)12-10-15)23(14(18)2)19-8-6-5-7-17(19)21(24)25/h5-13H,4H2,1-3H3,(H,24,25)