3-methyl-2-[1-[2-(4-phenoxyphenyl)ethanoyl]pyrrolidin-2-yl]benzimidazole-5-carboxylic acid

Systemtic Name: 3-methyl-2-[1-[2-(4-phenoxyphenyl)ethanoyl]pyrrolidin-2-yl]benzimidazole-5-carboxylic acid Openeye Name: 3-methyl-2-[1-[2-(4-phenoxyphenyl)acetyl]pyrrolidin-2-yl]benzimidazole-5-carboxylic acid CAS Name: 3-methyl-2-[1-[1-oxo-2-(4-phenoxyphenyl)ethyl]-2-pyrrolidinyl]-5-benzimidazolecarboxylic acid IUPAC Name: 3-methyl-2-[1-[2-(4-phenoxyphenyl)acetyl]pyrrolidin-2-yl]benzimidazole-5-carboxylic acid Traditional Name: 3-methyl-2-[1-[2-(4-phenoxyphenyl)acetyl]pyrrolidin-2-yl]benzimidazole-5-carboxylic acid Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(=O)O)N=C1C3CCCN3C(=O)CC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)O)N=C1C3CCCN3C(=O)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4/c1-29-24-17-19(27(32)33)11-14-22(24)28-26(29)23-8-5-15-30(23)25(31)16-18-9-12-21(13-10-18)34-20-6-3-2-4-7-20/h2-4,6-7,9-14,17,23H,5,8,15-16H2,1H3,(H,32,33)