(2,5-dimethylphenyl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: (2,5-dimethylphenyl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: (2,5-dimethylphenyl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid (2,5-dimethylbenzyl) ester Formula: C22H23NO2 MolecularWeight: 333.42352

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H23NO2/c1-5-19-16(4)21(18-8-6-7-9-20(18)23-19)22(24)25-13-17-12-14(2)10-11-15(17)3/h6-12H,5,13H2,1-4H3