(2-oxidanylidene-1,2-diphenyl-ethyl) 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: (2-oxidanylidene-1,2-diphenyl-ethyl) 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: (2-oxo-1,2-diphenyl-ethyl) 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid (2-oxo-1,2-diphenylethyl) ester IUPAC Name: (2-oxo-1,2-diphenylethyl) 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid desyl ester Formula: C29H27NO3 MolecularWeight: 437.52958

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H27NO3/c1-3-13-24-22(4-2)26(23-18-11-12-19-25(23)30-24)29(32)33-28(21-16-9-6-10-17-21)27(31)20-14-7-5-8-15-20/h5-12,14-19,28H,3-4,13H2,1-2H3