1-[(E)-3-(2-methylphenyl)prop-2-enoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(E)-3-(2-methylphenyl)prop-2-enoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(E)-3-(o-tolyl)prop-2-enoyl]piperidine-3-carboxylic acid CAS Name: 1-[(E)-3-(2-methylphenyl)-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-(2-methylphenyl)prop-2-enoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(E)-3-(o-tolyl)acryloyl]nipecotic acid Formula: C16H19NO3 MolecularWeight: 273.32696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1/C=C/C(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C16H19NO3/c1-12-5-2-3-6-13(12)8-9-15(18)17-10-4-7-14(11-17)16(19)20/h2-3,5-6,8-9,14H,4,7,10-11H2,1H3,(H,19,20)/b9-8+