(E)-7-[4-(2-methyl-1-oxidanylidene-propan-2-yl)phenyl]-7-pyridin-3-yl-hept-6-enoic acid

Systemtic Name: (E)-7-[4-(2-methyl-1-oxidanylidene-propan-2-yl)phenyl]-7-pyridin-3-yl-hept-6-enoic acid Openeye Name: (E)-7-[4-(1,1-dimethyl-2-oxo-ethyl)phenyl]-7-(3-pyridyl)hept-6-enoic acid CAS Name: (E)-7-[4-(2-methyl-1-oxopropan-2-yl)phenyl]-7-(3-pyridinyl)-6-heptenoic acid IUPAC Name: (E)-7-[4-(2-methyl-1-oxopropan-2-yl)phenyl]-7-pyridin-3-ylhept-6-enoic acid Traditional Name: (E)-7-[4-(2-keto-1,1-dimethyl-ethyl)phenyl]-7-(3-pyridyl)hept-6-enoic acid Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=O)C1=CC=C(C=C1)C(=CCCCCC(=O)O)C2=CN=CC=C2

Isomeric SMILES

CC(C)(C=O)C1=CC=C(C=C1)/C(=C\CCCCC(=O)O)/C2=CN=CC=C2

InChI

InChI=1S/C22H25NO3/c1-22(2,16-24)19-12-10-17(11-13-19)20(18-7-6-14-23-15-18)8-4-3-5-9-21(25)26/h6-8,10-16H,3-5,9H2,1-2H3,(H,25,26)/b20-8+