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

Systemtic Name: 1-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid CAS Name: 1-[(E)-3-(3-methoxyphenyl)-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(E)-3-(3-methoxyphenyl)acryloyl]nipecotic acid Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=CC(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)/C=C/C(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C16H19NO4/c1-21-14-6-2-4-12(10-14)7-8-15(18)17-9-3-5-13(11-17)16(19)20/h2,4,6-8,10,13H,3,5,9,11H2,1H3,(H,19,20)/b8-7+