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

Systemtic Name: methyl 2-[5-[[4-(4-cyanophenyl)phenoxy]methyl]-1-pyridin-3-ylcarbonyl-pyrrolidin-3-yl]ethanoate Openeye Name: methyl 2-[5-[[4-(4-cyanophenyl)phenoxy]methyl]-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]acetate CAS Name: 2-[5-[[4-(4-cyanophenyl)phenoxy]methyl]-1-[oxo(3-pyridinyl)methyl]-3-pyrrolidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-[[4-(4-cyanophenyl)phenoxy]methyl]-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]acetate Traditional Name: 2-[5-[[4-(4-cyanophenyl)phenoxy]methyl]-1-nicotinoyl-pyrrolidin-3-yl]acetic acid methyl ester Formula: C27H25N3O4 MolecularWeight: 455.5051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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