ethyl 4-methyl-2-[3-(4-oxidanylidenecinnolin-1-yl)propanoyloxymethyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[3-(4-oxidanylidenecinnolin-1-yl)propanoyloxymethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[3-(4-oxocinnolin-1-yl)propanoyloxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[1-oxo-3-(4-oxo-1-cinnolinyl)propoxy]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[3-(4-oxocinnolin-1-yl)propanoyloxymethyl]quinoline-3-carboxylate Traditional Name: 2-[3-(4-ketocinnolin-1-yl)propanoyloxymethyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C25H23N3O5 MolecularWeight: 445.46722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)CCN3C4=CC=CC=C4C(=O)C=N3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)CCN3C4=CC=CC=C4C(=O)C=N3)C

InChI

InChI=1S/C25H23N3O5/c1-3-32-25(31)24-16(2)17-8-4-6-10-19(17)27-20(24)15-33-23(30)12-13-28-21-11-7-5-9-18(21)22(29)14-26-28/h4-11,14H,3,12-13,15H2,1-2H3