(3,3-dimethyl-2-oxidanylidene-butyl) 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C21H27NO3/c1-6-10-16-14(7-2)19(15-11-8-9-12-17(15)22-16)20(24)25-13-18(23)21(3,4)5/h8-9,11-12H,6-7,10,13H2,1-5H3