(diphenylmethyl) 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: (diphenylmethyl) 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: benzhydryl 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid benzhydryl ester Formula: C28H27NO2 MolecularWeight: 409.51948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27NO2/c1-3-13-24-22(4-2)26(23-18-11-12-19-25(23)29-24)28(30)31-27(20-14-7-5-8-15-20)21-16-9-6-10-17-21/h5-12,14-19,27H,3-4,13H2,1-2H3