3-[2-methyl-5-(5-phenyl-2-phenylmethoxy-phenyl)pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2-methyl-5-(5-phenyl-2-phenylmethoxy-phenyl)pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-(2-benzyloxy-5-phenyl-phenyl)-5-methyl-pyrrol-1-yl]benzoic acid CAS Name: 3-[2-methyl-5-(5-phenyl-2-phenylmethoxyphenyl)-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-methyl-5-(5-phenyl-2-phenylmethoxyphenyl)pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-(2-benzoxy-5-phenyl-phenyl)-5-methyl-pyrrol-1-yl]benzoic acid Formula: C31H25NO3 MolecularWeight: 459.5351

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=C(C=CC(=C3)C4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=C(C=CC(=C3)C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H25NO3/c1-22-15-17-29(32(22)27-14-8-13-26(19-27)31(33)34)28-20-25(24-11-6-3-7-12-24)16-18-30(28)35-21-23-9-4-2-5-10-23/h2-20H,21H2,1H3,(H,33,34)