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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=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/c1-12-4-2-5-13(10-12)7-8-15(18)17-9-3-6-14(11-17)16(19)20/h2,4-5,7-8,10,14H,3,6,9,11H2,1H3,(H,19,20)/b8-7+