ethyl 7-methoxy-4-oxidanylidene-8-phenylmethoxy-1H-pyrimido[4,5-b]quinoline-2-carboxylate

Systemtic Name: ethyl 7-methoxy-4-oxidanylidene-8-phenylmethoxy-1H-pyrimido[4,5-b]quinoline-2-carboxylate Openeye Name: ethyl 8-benzyloxy-7-methoxy-4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxylate CAS Name: 7-methoxy-4-oxo-8-phenylmethoxy-1H-pyrimido[4,5-b]quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-methoxy-4-oxo-8-phenylmethoxy-1H-pyrimido[4,5-b]quinoline-2-carboxylate Traditional Name: 8-benzoxy-4-keto-7-methoxy-1H-pyrimido[4,5-b]quinoline-2-carboxylic acid ethyl ester Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=O)C2=C(N1)N=C3C=C(C(=CC3=C2)OC)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NC(=O)C2=C(N1)N=C3C=C(C(=CC3=C2)OC)OCC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O5/c1-3-29-22(27)20-24-19-15(21(26)25-20)9-14-10-17(28-2)18(11-16(14)23-19)30-12-13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3,(H,23,24,25,26)