2-[4-[(2-ethoxycarbonyl-5-propyl-pyrrol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2-ethoxycarbonyl-5-propyl-pyrrol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-ethoxycarbonyl-5-propyl-pyrrol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-ethoxycarbonyl-5-propyl-1-pyrrolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-ethoxycarbonyl-5-propylpyrrol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-carbethoxy-5-propyl-pyrrol-1-yl)methyl]phenyl]benzoic acid Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)OCC

Isomeric SMILES

CCCC1=CC=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)OCC

InChI

InChI=1S/C24H25NO4/c1-3-7-19-14-15-22(24(28)29-4-2)25(19)16-17-10-12-18(13-11-17)20-8-5-6-9-21(20)23(26)27/h5-6,8-15H,3-4,7,16H2,1-2H3,(H,26,27)