3-[[2-cyano-3-(3-fluoranyl-4-piperidin-1-yl-phenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-(3-fluoranyl-4-piperidin-1-yl-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[3-fluoro-4-(1-piperidyl)phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[3-fluoro-4-(1-piperidinyl)phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-(3-fluoro-4-piperidino-phenyl)acryloyl]amino]benzoic acid Formula: C22H20FN3O3 MolecularWeight: 393.410903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)F

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)F

InChI

InChI=1S/C22H20FN3O3/c23-19-12-15(7-8-20(19)26-9-2-1-3-10-26)11-17(14-24)21(27)25-18-6-4-5-16(13-18)22(28)29/h4-8,11-13H,1-3,9-10H2,(H,25,27)(H,28,29)