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

Systemtic Name: (3S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[(E)-3-(4-methoxyphenyl)acryloyl]nipecotic acid Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)N2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C16H19NO4/c1-21-14-7-4-12(5-8-14)6-9-15(18)17-10-2-3-13(11-17)16(19)20/h4-9,13H,2-3,10-11H2,1H3,(H,19,20)/b9-6+/t13-/m0/s1