(Z)-2-(2-oxidanylpropan-2-yl)-7-phenyl-7-pyridin-3-yl-hept-6-enoate

Systemtic Name: (Z)-2-(2-oxidanylpropan-2-yl)-7-phenyl-7-pyridin-3-yl-hept-6-enoate Openeye Name: (Z)-2-(1-hydroxy-1-methyl-ethyl)-7-phenyl-7-(3-pyridyl)hept-6-enoate CAS Name: (Z)-2-(2-hydroxypropan-2-yl)-7-phenyl-7-(3-pyridinyl)-6-heptenoate IUPAC Name: (Z)-2-(2-hydroxypropan-2-yl)-7-phenyl-7-pyridin-3-ylhept-6-enoate Traditional Name: (Z)-2-(1-hydroxy-1-methyl-ethyl)-7-phenyl-7-(3-pyridyl)hept-6-enoate Formula: C21H24NO3- MolecularWeight: 338.42016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(CCCC=C(C1=CC=CC=C1)C2=CN=CC=C2)C(=O)[O-])O

Isomeric SMILES

CC(C)(C(CCC/C=C(/C1=CC=CC=C1)\C2=CN=CC=C2)C(=O)[O-])O

InChI

InChI=1S/C21H25NO3/c1-21(2,25)19(20(23)24)13-7-6-12-18(16-9-4-3-5-10-16)17-11-8-14-22-15-17/h3-5,8-12,14-15,19,25H,6-7,13H2,1-2H3,(H,23,24)/p-1/b18-12-