4-butyl-1-(phenylmethyl)pyrrolidine-3-carboxylic acid

Systemtic Name: 4-butyl-1-(phenylmethyl)pyrrolidine-3-carboxylic acid Openeye Name: 1-benzyl-4-butyl-pyrrolidine-3-carboxylic acid CAS Name: 4-butyl-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid IUPAC Name: 1-benzyl-4-butylpyrrolidine-3-carboxylic acid Traditional Name: 1-benzyl-4-butyl-pyrrolidine-3-carboxylic acid Formula: C16H23NO2 MolecularWeight: 261.35932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CC1C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CCCCC1CN(CC1C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C16H23NO2/c1-2-3-9-14-11-17(12-15(14)16(18)19)10-13-7-5-4-6-8-13/h4-8,14-15H,2-3,9-12H2,1H3,(H,18,19)