(E)-3-[3,4-dimethoxy-2-(2-oxidanyl-3-piperidin-1-yl-propyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3,4-dimethoxy-2-(2-oxidanyl-3-piperidin-1-yl-propyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-[2-hydroxy-3-(1-piperidyl)propyl]-3,4-dimethoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-[2-hydroxy-3-(1-piperidinyl)propyl]-3,4-dimethoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(2-hydroxy-3-piperidin-1-ylpropyl)-3,4-dimethoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(2-hydroxy-3-piperidino-propyl)-3,4-dimethoxy-phenyl]acrylic acid Formula: C19H27NO5 MolecularWeight: 349.42138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=CC(=O)O)CC(CN2CCCCC2)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)/C=C/C(=O)O)CC(CN2CCCCC2)O)OC

InChI

InChI=1S/C19H27NO5/c1-24-17-8-6-14(7-9-18(22)23)16(19(17)25-2)12-15(21)13-20-10-4-3-5-11-20/h6-9,15,21H,3-5,10-13H2,1-2H3,(H,22,23)/b9-7+