(E)-3-[6-[1-(4-methylphenyl)-1-oxidanyl-3-pyrrolidin-1-yl-propyl]pyridin-2-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[6-[1-(4-methylphenyl)-1-oxidanyl-3-pyrrolidin-1-yl-propyl]pyridin-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[6-[1-hydroxy-1-(p-tolyl)-3-pyrrolidin-1-yl-propyl]-2-pyridyl]prop-2-enoic acid CAS Name: (E)-3-[6-[1-hydroxy-1-(4-methylphenyl)-3-(1-pyrrolidinyl)propyl]-2-pyridinyl]-2-propenoic acid IUPAC Name: (E)-3-[6-[1-hydroxy-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropyl]pyridin-2-yl]prop-2-enoic acid Traditional Name: (E)-3-[6-[1-hydroxy-1-(p-tolyl)-3-pyrrolidino-propyl]-2-pyridyl]acrylic acid Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CCN2CCCC2)(C3=CC=CC(=N3)C=CC(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(CCN2CCCC2)(C3=CC=CC(=N3)/C=C/C(=O)O)O

InChI

InChI=1S/C22H26N2O3/c1-17-7-9-18(10-8-17)22(27,13-16-24-14-2-3-15-24)20-6-4-5-19(23-20)11-12-21(25)26/h4-12,27H,2-3,13-16H2,1H3,(H,25,26)/b12-11+