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

Systemtic Name: 1-[(E)-3-(4-ethylphenyl)prop-2-enoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(E)-3-(4-ethylphenyl)prop-2-enoyl]piperidine-3-carboxylic acid CAS Name: 1-[(E)-3-(4-ethylphenyl)-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-(4-ethylphenyl)prop-2-enoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(E)-3-(4-ethylphenyl)acryloyl]nipecotic acid Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=CC(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C/C(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C17H21NO3/c1-2-13-5-7-14(8-6-13)9-10-16(19)18-11-3-4-15(12-18)17(20)21/h5-10,15H,2-4,11-12H2,1H3,(H,20,21)/b10-9+