methyl 2-[5-[[4-(4-cyanophenyl)phenoxy]methyl]-2-oxidanylidene-1-pyridin-3-yl-pyrrolidin-3-yl]ethanoate

Systemtic Name: methyl 2-[5-[[4-(4-cyanophenyl)phenoxy]methyl]-2-oxidanylidene-1-pyridin-3-yl-pyrrolidin-3-yl]ethanoate Openeye Name: methyl 2-[5-[[4-(4-cyanophenyl)phenoxy]methyl]-2-oxo-1-(3-pyridyl)pyrrolidin-3-yl]acetate CAS Name: 2-[5-[[4-(4-cyanophenyl)phenoxy]methyl]-2-oxo-1-(3-pyridinyl)-3-pyrrolidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-[[4-(4-cyanophenyl)phenoxy]methyl]-2-oxo-1-pyridin-3-ylpyrrolidin-3-yl]acetate Traditional Name: 2-[5-[[4-(4-cyanophenyl)phenoxy]methyl]-2-keto-1-(3-pyridyl)pyrrolidin-3-yl]acetic acid methyl ester Formula: C26H23N3O4 MolecularWeight: 441.47852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CC(N(C1=O)C2=CN=CC=C2)COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC(=O)CC1CC(N(C1=O)C2=CN=CC=C2)COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H23N3O4/c1-32-25(30)14-21-13-23(29(26(21)31)22-3-2-12-28-16-22)17-33-24-10-8-20(9-11-24)19-6-4-18(15-27)5-7-19/h2-12,16,21,23H,13-14,17H2,1H3