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

Systemtic Name: 1-[(E)-3-(3-cyanophenyl)prop-2-enoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(E)-3-(3-cyanophenyl)prop-2-enoyl]piperidine-3-carboxylic acid CAS Name: 1-[(E)-3-(3-cyanophenyl)-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-(3-cyanophenyl)prop-2-enoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(E)-3-(3-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=CC(=C2)C#N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3/c17-10-13-4-1-3-12(9-13)6-7-15(19)18-8-2-5-14(11-18)16(20)21/h1,3-4,6-7,9,14H,2,5,8,11H2,(H,20,21)/b7-6+