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

Systemtic Name: 1-[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]piperidine-2-carboxylic acid Openeye Name: 1-[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]piperidine-2-carboxylic acid CAS Name: 1-[(E)-3-(2,4-dimethylphenyl)-1-oxoprop-2-enyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]piperidine-2-carboxylic acid Traditional Name: 1-[(E)-3-(2,4-dimethylphenyl)acryloyl]pipecolinic acid Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)N2CCCCC2C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)N2CCCCC2C(=O)O)C

InChI

InChI=1S/C17H21NO3/c1-12-6-7-14(13(2)11-12)8-9-16(19)18-10-4-3-5-15(18)17(20)21/h6-9,11,15H,3-5,10H2,1-2H3,(H,20,21)/b9-8+