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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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