(1-oxidanylidene-1-phenyl-propan-2-yl) 2-butylquinoline-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 2-butylquinoline-4-carboxylate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 2-butylquinoline-4-carboxylate CAS Name: 2-butyl-4-quinolinecarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 2-butylquinoline-4-carboxylate Traditional Name: 2-butylcinchoninic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C23H23NO3 MolecularWeight: 361.43362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2C(=C1)C(=O)OC(C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2C(=C1)C(=O)OC(C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H23NO3/c1-3-4-12-18-15-20(19-13-8-9-14-21(19)24-18)23(26)27-16(2)22(25)17-10-6-5-7-11-17/h5-11,13-16H,3-4,12H2,1-2H3