4-(2-cyano-3-oxidanylidene-3-piperidin-1-yl-prop-1-enyl)benzoic acid

Systemtic Name: 4-(2-cyano-3-oxidanylidene-3-piperidin-1-yl-prop-1-enyl)benzoic acid Openeye Name: 4-[2-cyano-3-oxo-3-(1-piperidyl)prop-1-enyl]benzoic acid CAS Name: 4-[2-cyano-3-oxo-3-(1-piperidinyl)prop-1-enyl]benzoic acid IUPAC Name: 4-(2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl)benzoic acid Traditional Name: 4-(2-cyano-3-keto-3-piperidino-prop-1-enyl)benzoic acid Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(=CC2=CC=C(C=C2)C(=O)O)C#N

Isomeric SMILES

C1CCN(CC1)C(=O)C(=CC2=CC=C(C=C2)C(=O)O)C#N

InChI

InChI=1S/C16H16N2O3/c17-11-14(15(19)18-8-2-1-3-9-18)10-12-4-6-13(7-5-12)16(20)21/h4-7,10H,1-3,8-9H2,(H,20,21)