1-[4-[(E)-3-quinolin-2-ylprop-2-enoyl]phenyl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-[(E)-3-quinolin-2-ylprop-2-enoyl]phenyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-[(E)-3-(2-quinolyl)prop-2-enoyl]benzoyl]piperidine-4-carboxylic acid CAS Name: 1-[oxo-[4-[(E)-1-oxo-3-(2-quinolinyl)prop-2-enyl]phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[(E)-3-quinolin-2-ylprop-2-enoyl]benzoyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-[(E)-3-(2-quinolyl)acryloyl]benzoyl]isonipecotic acid Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=CC=C(C=C2)C(=O)C=CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2=CC=C(C=C2)C(=O)/C=C/C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H22N2O4/c28-23(12-11-21-10-9-17-3-1-2-4-22(17)26-21)18-5-7-19(8-6-18)24(29)27-15-13-20(14-16-27)25(30)31/h1-12,20H,13-16H2,(H,30,31)/b12-11+