1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-4-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-4-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 4-benzyl-1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]piperidine-4-carboxylic acid CAS Name: 1-[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 4-benzyl-1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]piperidine-4-carboxylic acid Traditional Name: 4-benzyl-1-[(E)-3-(4-fluorophenyl)acryloyl]isonipecotic acid Formula: C22H22FNO3 MolecularWeight: 367.413383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=CC=C2)C(=O)O)C(=O)C=CC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCC1(CC2=CC=CC=C2)C(=O)O)C(=O)/C=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FNO3/c23-19-9-6-17(7-10-19)8-11-20(25)24-14-12-22(13-15-24,21(26)27)16-18-4-2-1-3-5-18/h1-11H,12-16H2,(H,26,27)/b11-8+