1-[(3-methoxy-4-octoxy-phenyl)methyl]pyrrolidine-3-carboxylic acid

Systemtic Name: 1-[(3-methoxy-4-octoxy-phenyl)methyl]pyrrolidine-3-carboxylic acid Openeye Name: 1-[(3-methoxy-4-octoxy-phenyl)methyl]pyrrolidine-3-carboxylic acid CAS Name: 1-[(3-methoxy-4-octoxyphenyl)methyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-methoxy-4-octoxyphenyl)methyl]pyrrolidine-3-carboxylic acid Traditional Name: 1-(3-methoxy-4-octoxy-benzyl)pyrrolidine-3-carboxylic acid Formula: C21H33NO4 MolecularWeight: 363.49102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)CN2CCC(C2)C(=O)O)OC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)CN2CCC(C2)C(=O)O)OC

InChI

InChI=1S/C21H33NO4/c1-3-4-5-6-7-8-13-26-19-10-9-17(14-20(19)25-2)15-22-12-11-18(16-22)21(23)24/h9-10,14,18H,3-8,11-13,15-16H2,1-2H3,(H,23,24)