(2-azanyl-2-oxidanylidene-ethyl) 2-(4-butan-2-ylphenyl)quinoline-4-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-(4-butan-2-ylphenyl)quinoline-4-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 2-(4-sec-butylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-butan-2-ylphenyl)-4-quinolinecarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-(4-butan-2-ylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-sec-butylphenyl)cinchoninic acid (2-amino-2-keto-ethyl) ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)N

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)N

InChI

InChI=1S/C22H22N2O3/c1-3-14(2)15-8-10-16(11-9-15)20-12-18(22(26)27-13-21(23)25)17-6-4-5-7-19(17)24-20/h4-12,14H,3,13H2,1-2H3,(H2,23,25)