methyl 5-oxidanylidene-4-[4-(4-phenylbutyl)phenoxy]pyrrolidine-2-carboxylate

Systemtic Name: methyl 5-oxidanylidene-4-[4-(4-phenylbutyl)phenoxy]pyrrolidine-2-carboxylate Openeye Name: methyl 5-oxo-4-[4-(4-phenylbutyl)phenoxy]pyrrolidine-2-carboxylate CAS Name: 5-oxo-4-[4-(4-phenylbutyl)phenoxy]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 5-oxo-4-[4-(4-phenylbutyl)phenoxy]pyrrolidine-2-carboxylate Traditional Name: 5-keto-4-[4-(4-phenylbutyl)phenoxy]pyrrolidine-2-carboxylic acid methyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C(=O)N1)OC2=CC=C(C=C2)CCCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CC(C(=O)N1)OC2=CC=C(C=C2)CCCCC3=CC=CC=C3

InChI

InChI=1S/C22H25NO4/c1-26-22(25)19-15-20(21(24)23-19)27-18-13-11-17(12-14-18)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-14,19-20H,5-6,9-10,15H2,1H3,(H,23,24)