1-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]-4-methyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]-4-methyl-piperidine-4-carboxylic acid Openeye Name: 1-[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]-4-methyl-piperidine-4-carboxylic acid CAS Name: 1-[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enyl]-4-methyl-4-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-4-methylpiperidine-4-carboxylic acid Traditional Name: 1-[(E)-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]-4-methyl-isonipecotic acid Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)C(=O)C=CC2=CC(=C(C=C2)O)OC)C(=O)O

Isomeric SMILES

CC1(CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)O)OC)C(=O)O

InChI

InChI=1S/C17H21NO5/c1-17(16(21)22)7-9-18(10-8-17)15(20)6-4-12-3-5-13(19)14(11-12)23-2/h3-6,11,19H,7-10H2,1-2H3,(H,21,22)/b6-4+