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

Systemtic Name: 3-[2-methyl-5-(2-phenylmethoxyphenyl)pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-(2-benzyloxyphenyl)-5-methyl-pyrrol-1-yl]benzoic acid CAS Name: 3-[2-methyl-5-(2-phenylmethoxyphenyl)-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-methyl-5-(2-phenylmethoxyphenyl)pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-(2-benzoxyphenyl)-5-methyl-pyrrol-1-yl]benzoic acid Formula: C25H21NO3 MolecularWeight: 383.43914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3OCC4=CC=CC=C4

InChI

InChI=1S/C25H21NO3/c1-18-14-15-23(26(18)21-11-7-10-20(16-21)25(27)28)22-12-5-6-13-24(22)29-17-19-8-3-2-4-9-19/h2-16H,17H2,1H3,(H,27,28)