2-[4-(cyclohexen-1-yl)phenyl]-2-methyl-3-oxidanylidene-3-pyridin-2-yl-propanoic acid

Systemtic Name: 2-[4-(cyclohexen-1-yl)phenyl]-2-methyl-3-oxidanylidene-3-pyridin-2-yl-propanoic acid Openeye Name: 2-[4-(cyclohexen-1-yl)phenyl]-2-methyl-3-oxo-3-(2-pyridyl)propanoic acid CAS Name: 2-[4-(1-cyclohexenyl)phenyl]-2-methyl-3-oxo-3-(2-pyridinyl)propanoic acid IUPAC Name: 2-[4-(cyclohexen-1-yl)phenyl]-2-methyl-3-oxo-3-pyridin-2-ylpropanoic acid Traditional Name: 2-[4-(cyclohexen-1-yl)phenyl]-3-keto-2-methyl-3-(2-pyridyl)propionic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2=CCCCC2)(C(=O)C3=CC=CC=N3)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)C2=CCCCC2)(C(=O)C3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C21H21NO3/c1-21(20(24)25,19(23)18-9-5-6-14-22-18)17-12-10-16(11-13-17)15-7-3-2-4-8-15/h5-7,9-14H,2-4,8H2,1H3,(H,24,25)