1-butyl-2-(4-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylic acid

Systemtic Name: 1-butyl-2-(4-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylic acid Openeye Name: 1-butyl-2-(4-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxylic acid CAS Name: 1-butyl-2-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid IUPAC Name: 1-butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid Traditional Name: 1-butyl-5-keto-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Formula: C16H21NO4 MolecularWeight: 291.34224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CC1=O)C(=O)O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCN1C(C(CC1=O)C(=O)O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H21NO4/c1-3-4-9-17-14(18)10-13(16(19)20)15(17)11-5-7-12(21-2)8-6-11/h5-8,13,15H,3-4,9-10H2,1-2H3,(H,19,20)