(5-ethanoyl-2-ethoxy-phenyl)methyl 2-methylquinoline-4-carboxylate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 2-methylquinoline-4-carboxylate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC(=NC3=CC=CC=C32)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C22H21NO4/c1-4-26-21-10-9-16(15(3)24)12-17(21)13-27-22(25)19-11-14(2)23-20-8-6-5-7-18(19)20/h5-12H,4,13H2,1-3H3