1-[4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]benzoyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]benzoyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-[(E)-3-hydroxy-3-keto-prop-1-enyl]benzoyl]isonipecotic acid Formula: C16H17NO5 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=CC=C(C=C2)C=CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO5/c18-14(19)6-3-11-1-4-12(5-2-11)15(20)17-9-7-13(8-10-17)16(21)22/h1-6,13H,7-10H2,(H,18,19)(H,21,22)/b6-3+