methyl 3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-1-phenyl-quinoline-2-carboxylate

Systemtic Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-1-phenyl-quinoline-2-carboxylate Openeye Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1-phenyl-quinoline-2-carboxylate CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1-phenyl-2-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1-phenylquinoline-2-carboxylate Traditional Name: 4-keto-1-phenyl-3-piperonyl-quinaldic acid methyl ester Formula: C25H19NO5 MolecularWeight: 413.42206

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=O)C2=CC=CC=C2N1C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=C(C(=O)C2=CC=CC=C2N1C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H19NO5/c1-29-25(28)23-19(13-16-11-12-21-22(14-16)31-15-30-21)24(27)18-9-5-6-10-20(18)26(23)17-7-3-2-4-8-17/h2-12,14H,13,15H2,1H3