3-(3-ethoxycarbonyl-2-methyl-5-phenyl-pyrrol-1-yl)benzoic acid

Systemtic Name: 3-(3-ethoxycarbonyl-2-methyl-5-phenyl-pyrrol-1-yl)benzoic acid Openeye Name: 3-(3-ethoxycarbonyl-2-methyl-5-phenyl-pyrrol-1-yl)benzoic acid CAS Name: 3-(3-ethoxycarbonyl-2-methyl-5-phenyl-1-pyrrolyl)benzoic acid IUPAC Name: 3-(3-ethoxycarbonyl-2-methyl-5-phenylpyrrol-1-yl)benzoic acid Traditional Name: 3-(3-carbethoxy-2-methyl-5-phenyl-pyrrol-1-yl)benzoic acid Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO4/c1-3-26-21(25)18-13-19(15-8-5-4-6-9-15)22(14(18)2)17-11-7-10-16(12-17)20(23)24/h4-13H,3H2,1-2H3,(H,23,24)