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

Systemtic Name: 1-[(E)-3-(4-cyanophenyl)prop-2-enoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(E)-3-(4-cyanophenyl)prop-2-enoyl]piperidine-3-carboxylic acid CAS Name: 1-[(E)-3-(4-cyanophenyl)-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-(4-cyanophenyl)prop-2-enoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(E)-3-(4-cyanophenyl)acryloyl]nipecotic acid Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)/C=C/C2=CC=C(C=C2)C#N)C(=O)O

InChI

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