1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(E)-3-(p-tolyl)prop-2-enoyl]piperidine-3-carboxylic acid CAS Name: 1-[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-(4-methylphenyl)prop-2-enoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(E)-3-(p-tolyl)acryloyl]nipecotic acid Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO3/c1-12-4-6-13(7-5-12)8-9-15(18)17-10-2-3-14(11-17)16(19)20/h4-9,14H,2-3,10-11H2,1H3,(H,19,20)/b9-8+