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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C=CC2=CC=CC(=C2)C#N

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)/C=C/C2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H16N2O3/c17-11-13-3-1-2-12(10-13)4-5-15(19)18-8-6-14(7-9-18)16(20)21/h1-5,10,14H,6-9H2,(H,20,21)/b5-4+