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

Systemtic Name: (E)-3-[6-[1-(4-methylphenyl)-1-oxidanyl-2-pyrrolidin-3-yl-propyl]pyridin-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[6-[1-hydroxy-1-(p-tolyl)-2-pyrrolidin-3-yl-propyl]-2-pyridyl]prop-2-enoic acid CAS Name: (E)-3-[6-[1-hydroxy-1-(4-methylphenyl)-2-(3-pyrrolidinyl)propyl]-2-pyridinyl]-2-propenoic acid IUPAC Name: (E)-3-[6-[1-hydroxy-1-(4-methylphenyl)-2-pyrrolidin-3-ylpropyl]pyridin-2-yl]prop-2-enoic acid Traditional Name: (E)-3-[6-[1-hydroxy-1-(p-tolyl)-2-pyrrolidin-3-yl-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(C2=CC=CC(=N2)C=CC(=O)O)(C(C)C3CCNC3)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC(=N2)/C=C/C(=O)O)(C(C)C3CCNC3)O

InChI

InChI=1S/C22H26N2O3/c1-15-6-8-18(9-7-15)22(27,16(2)17-12-13-23-14-17)20-5-3-4-19(24-20)10-11-21(25)26/h3-11,16-17,23,27H,12-14H2,1-2H3,(H,25,26)/b11-10+