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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(4-ethoxyphenyl)quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(4-ethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-ethoxyphenyl)-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(4-ethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-p-phenetylcinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C24H25NO4/c1-5-28-17-12-10-16(11-13-17)21-14-19(18-8-6-7-9-20(18)25-21)23(27)29-15-22(26)24(2,3)4/h6-14H,5,15H2,1-4H3