methyl 2-[3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoyloxymethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoyloxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[3-(4-butyl-3-oxo-quinoxalin-2-yl)propanoyloxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[3-(4-butyl-3-oxo-2-quinoxalinyl)-1-oxopropoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-butyl-3-oxoquinoxalin-2-yl)propanoyloxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[3-(4-butyl-3-keto-quinoxalin-2-yl)propanoyloxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC3=NC4=CC=CC=C4C(=C3C(=O)OC)C

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC3=NC4=CC=CC=C4C(=C3C(=O)OC)C

InChI

InChI=1S/C28H29N3O5/c1-4-5-16-31-24-13-9-8-12-21(24)30-22(27(31)33)14-15-25(32)36-17-23-26(28(34)35-3)18(2)19-10-6-7-11-20(19)29-23/h6-13H,4-5,14-17H2,1-3H3