3-[3-[2-(2-methylpropyl)pyridin-4-yl]phenyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[3-[2-(2-methylpropyl)pyridin-4-yl]phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-(2-isobutyl-4-pyridyl)phenyl]-3-oxo-propanoic acid CAS Name: 3-[3-[2-(2-methylpropyl)-4-pyridinyl]phenyl]-3-oxopropanoic acid IUPAC Name: 3-[3-[2-(2-methylpropyl)pyridin-4-yl]phenyl]-3-oxopropanoic acid Traditional Name: 3-[3-(2-isobutyl-4-pyridyl)phenyl]-3-keto-propionic acid Formula: C18H19NO3 MolecularWeight: 297.34836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC=CC(=C1)C2=CC(=CC=C2)C(=O)CC(=O)O

Isomeric SMILES

CC(C)CC1=NC=CC(=C1)C2=CC(=CC=C2)C(=O)CC(=O)O

InChI

InChI=1S/C18H19NO3/c1-12(2)8-16-10-14(6-7-19-16)13-4-3-5-15(9-13)17(20)11-18(21)22/h3-7,9-10,12H,8,11H2,1-2H3,(H,21,22)