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

Systemtic Name: 3,3-dimethyl-5-oxidanylidene-5-[[3-(2-pyridin-4-ylethyl)phenyl]amino]pentanoate Openeye Name: 3,3-dimethyl-5-oxo-5-[3-[2-(4-pyridyl)ethyl]anilino]pentanoate CAS Name: 3,3-dimethyl-5-oxo-5-[3-(2-pyridin-4-ylethyl)anilino]pentanoate IUPAC Name: 3,3-dimethyl-5-oxo-5-[3-(2-pyridin-4-ylethyl)anilino]pentanoate Traditional Name: 5-keto-3,3-dimethyl-5-[3-[2-(4-pyridyl)ethyl]anilino]valerate Formula: C20H23N2O3- MolecularWeight: 339.40822

Click to see the large picture

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)/p-1