2-tert-butyl-3-ethyl-quinoline-4-carboxylate

Systemtic Name: 2-tert-butyl-3-ethyl-quinoline-4-carboxylate Openeye Name: 2-tert-butyl-3-ethyl-quinoline-4-carboxylate CAS Name: 2-tert-butyl-3-ethyl-4-quinolinecarboxylate IUPAC Name: 2-tert-butyl-3-ethylquinoline-4-carboxylate Traditional Name: 2-tert-butyl-3-ethyl-cinchoninate Formula: C16H18NO2- MolecularWeight: 256.31962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2N=C1C(C)(C)C)C(=O)[O-]

Isomeric SMILES

CCC1=C(C2=CC=CC=C2N=C1C(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C16H19NO2/c1-5-10-13(15(18)19)11-8-6-7-9-12(11)17-14(10)16(2,3)4/h6-9H,5H2,1-4H3,(H,18,19)/p-1