3,3-dimethyl-5-oxidanylidene-5-(quinolin-2-ylamino)pentanoic acid

Systemtic Name: 3,3-dimethyl-5-oxidanylidene-5-(quinolin-2-ylamino)pentanoic acid Openeye Name: 3,3-dimethyl-5-oxo-5-(2-quinolylamino)pentanoic acid CAS Name: 3,3-dimethyl-5-oxo-5-(2-quinolinylamino)pentanoic acid IUPAC Name: 3,3-dimethyl-5-oxo-5-(quinolin-2-ylamino)pentanoic acid Traditional Name: 5-keto-3,3-dimethyl-5-(2-quinolylamino)valeric acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1=NC2=CC=CC=C2C=C1)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)NC1=NC2=CC=CC=C2C=C1)CC(=O)O

InChI

InChI=1S/C16H18N2O3/c1-16(2,10-15(20)21)9-14(19)18-13-8-7-11-5-3-4-6-12(11)17-13/h3-8H,9-10H2,1-2H3,(H,20,21)(H,17,18,19)