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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C16H19NO3/c1-12-2-4-13(5-3-12)6-7-15(18)17-10-8-14(9-11-17)16(19)20/h2-7,14H,8-11H2,1H3,(H,19,20)/b7-6+