1-[(E)-but-2-enoyl]-4-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 1-[(E)-but-2-enoyl]-4-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 4-benzyl-1-[(E)-but-2-enoyl]piperidine-4-carboxylic acid CAS Name: 1-[(E)-1-oxobut-2-enyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 4-benzyl-1-[(E)-but-2-enoyl]piperidine-4-carboxylic acid Traditional Name: 4-benzyl-1-[(E)-but-2-enoyl]isonipecotic acid Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)N1CCC(CC1)(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C/C=C/C(=O)N1CCC(CC1)(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H21NO3/c1-2-6-15(19)18-11-9-17(10-12-18,16(20)21)13-14-7-4-3-5-8-14/h2-8H,9-13H2,1H3,(H,20,21)/b6-2+