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

Systemtic Name: 1-[(E)-3-(3-cyanophenyl)prop-2-enoyl]piperidine-2-carboxylic acid Openeye Name: 1-[(E)-3-(3-cyanophenyl)prop-2-enoyl]piperidine-2-carboxylic acid CAS Name: 1-[(E)-3-(3-cyanophenyl)-1-oxoprop-2-enyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-(3-cyanophenyl)prop-2-enoyl]piperidine-2-carboxylic acid Traditional Name: 1-[(E)-3-(3-cyanophenyl)acryloyl]pipecolinic acid Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(=O)C=CC2=CC=CC(=C2)C#N

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(=O)/C=C/C2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H16N2O3/c17-11-13-5-3-4-12(10-13)7-8-15(19)18-9-2-1-6-14(18)16(20)21/h3-5,7-8,10,14H,1-2,6,9H2,(H,20,21)/b8-7+