N-ethylethanamine; ethyl 4-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-quinoline-3-carboxylate

Systemtic Name: N-ethylethanamine; ethyl 4-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-quinoline-3-carboxylate Openeye Name: N-ethylethanamine; ethyl 4-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-quinoline-3-carboxylate CAS Name: N-ethylethanamine; 4-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: N-ethylethanamine; ethyl 4-(4-fluorophenyl)-6,7-dimethoxy-2-methylquinoline-3-carboxylate Traditional Name: diethylamine; 4-(4-fluorophenyl)-6,7-dimethoxy-2-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C25H31FN2O4 MolecularWeight: 442.523043

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1C)OC)OC)C3=CC=C(C=C3)F

Isomeric SMILES

CCNCC.CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1C)OC)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FNO4.C4H11N/c1-5-27-21(24)19-12(2)23-16-11-18(26-4)17(25-3)10-15(16)20(19)13-6-8-14(22)9-7-13;1-3-5-4-2/h6-11H,5H2,1-4H3;5H,3-4H2,1-2H3