2-[(E)-but-2-enoyl]-1-phenylazanyl-piperidine-4-carboxylic acid

Systemtic Name: 2-[(E)-but-2-enoyl]-1-phenylazanyl-piperidine-4-carboxylic acid Openeye Name: 1-anilino-2-[(E)-but-2-enoyl]piperidine-4-carboxylic acid CAS Name: 1-anilino-2-[(E)-1-oxobut-2-enyl]-4-piperidinecarboxylic acid IUPAC Name: 1-anilino-2-[(E)-but-2-enoyl]piperidine-4-carboxylic acid Traditional Name: 1-anilino-2-[(E)-but-2-enoyl]isonipecotic acid Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C1CC(CCN1NC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C/C=C/C(=O)C1CC(CCN1NC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H20N2O3/c1-2-6-15(19)14-11-12(16(20)21)9-10-18(14)17-13-7-4-3-5-8-13/h2-8,12,14,17H,9-11H2,1H3,(H,20,21)/b6-2+