3-methyl-4-oxidanylidene-4-[4-(pyridin-3-ylmethyl)phenyl]butanoic acid

Systemtic Name: 3-methyl-4-oxidanylidene-4-[4-(pyridin-3-ylmethyl)phenyl]butanoic acid Openeye Name: 3-methyl-4-oxo-4-[4-(3-pyridylmethyl)phenyl]butanoic acid CAS Name: 3-methyl-4-oxo-4-[4-(3-pyridinylmethyl)phenyl]butanoic acid IUPAC Name: 3-methyl-4-oxo-4-[4-(pyridin-3-ylmethyl)phenyl]butanoic acid Traditional Name: 4-keto-3-methyl-4-[4-(3-pyridylmethyl)phenyl]butyric acid Formula: C17H17NO3 MolecularWeight: 283.32178

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C(=O)C1=CC=C(C=C1)CC2=CN=CC=C2

Isomeric SMILES

CC(CC(=O)O)C(=O)C1=CC=C(C=C1)CC2=CN=CC=C2

InChI

InChI=1S/C17H17NO3/c1-12(9-16(19)20)17(21)15-6-4-13(5-7-15)10-14-3-2-8-18-11-14/h2-8,11-12H,9-10H2,1H3,(H,19,20)