3-[[4-(5-cyanopyridin-2-yl)phenoxy]methyl]-1-(2-methoxyphenyl)carbonyl-pyrrolidine-3-carboxylic acid

Systemtic Name: 3-[[4-(5-cyanopyridin-2-yl)phenoxy]methyl]-1-(2-methoxyphenyl)carbonyl-pyrrolidine-3-carboxylic acid Openeye Name: 3-[[4-(5-cyano-2-pyridyl)phenoxy]methyl]-1-(2-methoxybenzoyl)pyrrolidine-3-carboxylic acid CAS Name: 3-[[4-(5-cyano-2-pyridinyl)phenoxy]methyl]-1-[(2-methoxyphenyl)-oxomethyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 3-[[4-(5-cyanopyridin-2-yl)phenoxy]methyl]-1-(2-methoxybenzoyl)pyrrolidine-3-carboxylic acid Traditional Name: 3-[[4-(5-cyano-2-pyridyl)phenoxy]methyl]-1-o-anisoyl-pyrrolidine-3-carboxylic acid Formula: C26H23N3O5 MolecularWeight: 457.47792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N2CCC(C2)(COC3=CC=C(C=C3)C4=NC=C(C=C4)C#N)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(=O)N2CCC(C2)(COC3=CC=C(C=C3)C4=NC=C(C=C4)C#N)C(=O)O

InChI

InChI=1S/C26H23N3O5/c1-33-23-5-3-2-4-21(23)24(30)29-13-12-26(16-29,25(31)32)17-34-20-9-7-19(8-10-20)22-11-6-18(14-27)15-28-22/h2-11,15H,12-13,16-17H2,1H3,(H,31,32)