3,3-dimethyl-5-oxidanylidene-5-[[3-(2-pyridin-4-ylethyl)phenyl]amino]pentanoic acid

Systemtic Name: 3,3-dimethyl-5-oxidanylidene-5-[[3-(2-pyridin-4-ylethyl)phenyl]amino]pentanoic acid Openeye Name: 3,3-dimethyl-5-oxo-5-[3-[2-(4-pyridyl)ethyl]anilino]pentanoic acid CAS Name: 3,3-dimethyl-5-oxo-5-[3-(2-pyridin-4-ylethyl)anilino]pentanoic acid IUPAC Name: 3,3-dimethyl-5-oxo-5-[3-(2-pyridin-4-ylethyl)anilino]pentanoic acid Traditional Name: 5-keto-3,3-dimethyl-5-[3-[2-(4-pyridyl)ethyl]anilino]valeric acid Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1=CC=CC(=C1)CCC2=CC=NC=C2)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)NC1=CC=CC(=C1)CCC2=CC=NC=C2)CC(=O)O

InChI

InChI=1S/C20H24N2O3/c1-20(2,14-19(24)25)13-18(23)22-17-5-3-4-16(12-17)7-6-15-8-10-21-11-9-15/h3-5,8-12H,6-7,13-14H2,1-2H3,(H,22,23)(H,24,25)