3-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-yl-prop-1-enyl]benzoic acid

Systemtic Name: 3-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-yl-prop-1-enyl]benzoic acid Openeye Name: 3-[(E)-1-(p-tolyl)-3-pyrrolidin-1-yl-prop-1-enyl]benzoic acid CAS Name: 3-[(E)-1-(4-methylphenyl)-3-(1-pyrrolidinyl)prop-1-enyl]benzoic acid IUPAC Name: 3-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]benzoic acid Traditional Name: 3-[(E)-1-(p-tolyl)-3-pyrrolidino-prop-1-enyl]benzoic acid Formula: C21H23NO2 MolecularWeight: 321.41282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=CCN2CCCC2)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)/C(=C\CN2CCCC2)/C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C21H23NO2/c1-16-7-9-17(10-8-16)20(11-14-22-12-2-3-13-22)18-5-4-6-19(15-18)21(23)24/h4-11,15H,2-3,12-14H2,1H3,(H,23,24)/b20-11+