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

Systemtic Name: 3-[2-methyl-5-(2-phenylmethoxy-5-thiophen-3-yl-phenyl)pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-[2-benzyloxy-5-(3-thienyl)phenyl]-5-methyl-pyrrol-1-yl]benzoic acid CAS Name: 3-[2-methyl-5-[2-phenylmethoxy-5-(3-thiophenyl)phenyl]-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-methyl-5-(2-phenylmethoxy-5-thiophen-3-ylphenyl)pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-[2-benzoxy-5-(3-thienyl)phenyl]-5-methyl-pyrrol-1-yl]benzoic acid Formula: C29H23NO3S MolecularWeight: 465.56282

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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=CSC=C4)OCC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H23NO3S/c1-20-10-12-27(30(20)25-9-5-8-23(16-25)29(31)32)26-17-22(24-14-15-34-19-24)11-13-28(26)33-18-21-6-3-2-4-7-21/h2-17,19H,18H2,1H3,(H,31,32)