(E)-6-(2-phenyl-1-pyridin-3-ylcarbonyl-pyrrolidin-3-yl)hex-4-enoic acid

Systemtic Name: (E)-6-(2-phenyl-1-pyridin-3-ylcarbonyl-pyrrolidin-3-yl)hex-4-enoic acid Openeye Name: (E)-6-[2-phenyl-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]hex-4-enoic acid CAS Name: (E)-6-[1-[oxo(3-pyridinyl)methyl]-2-phenyl-3-pyrrolidinyl]-4-hexenoic acid IUPAC Name: (E)-6-[2-phenyl-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]hex-4-enoic acid Traditional Name: (E)-6-(1-nicotinoyl-2-phenyl-pyrrolidin-3-yl)hex-4-enoic acid Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1CC=CCCC(=O)O)C2=CC=CC=C2)C(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(C(C1C/C=C/CCC(=O)O)C2=CC=CC=C2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H24N2O3/c25-20(26)12-6-2-5-10-18-13-15-24(21(18)17-8-3-1-4-9-17)22(27)19-11-7-14-23-16-19/h1-5,7-9,11,14,16,18,21H,6,10,12-13,15H2,(H,25,26)/b5-2+