3-[[4-(4-cyanophenyl)phenoxy]methyl]-1-(4-methoxyphenyl)carbonyl-pyrrolidine-3-carboxylic acid

Systemtic Name: 3-[[4-(4-cyanophenyl)phenoxy]methyl]-1-(4-methoxyphenyl)carbonyl-pyrrolidine-3-carboxylic acid Openeye Name: 3-[[4-(4-cyanophenyl)phenoxy]methyl]-1-(4-methoxybenzoyl)pyrrolidine-3-carboxylic acid CAS Name: 3-[[4-(4-cyanophenyl)phenoxy]methyl]-1-[(4-methoxyphenyl)-oxomethyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 3-[[4-(4-cyanophenyl)phenoxy]methyl]-1-(4-methoxybenzoyl)pyrrolidine-3-carboxylic acid Traditional Name: 3-[[4-(4-cyanophenyl)phenoxy]methyl]-1-p-anisoyl-pyrrolidine-3-carboxylic acid Formula: C27H24N2O5 MolecularWeight: 456.48986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCC(C2)(COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCC(C2)(COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)C(=O)O

InChI

InChI=1S/C27H24N2O5/c1-33-23-10-8-22(9-11-23)25(30)29-15-14-27(17-29,26(31)32)18-34-24-12-6-21(7-13-24)20-4-2-19(16-28)3-5-20/h2-13H,14-15,17-18H2,1H3,(H,31,32)