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

Systemtic Name: ethyl 7-ethoxy-4-oxidanylidene-8-phenylmethoxy-1H-pyrimido[4,5-b]quinoline-2-carboxylate Openeye Name: ethyl 8-benzyloxy-7-ethoxy-4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxylate CAS Name: 7-ethoxy-4-oxo-8-phenylmethoxy-1H-pyrimido[4,5-b]quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-ethoxy-4-oxo-8-phenylmethoxy-1H-pyrimido[4,5-b]quinoline-2-carboxylate Traditional Name: 8-benzoxy-7-ethoxy-4-keto-1H-pyrimido[4,5-b]quinoline-2-carboxylic acid ethyl ester Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=CC3=C(NC(=NC3=O)C(=O)OCC)N=C2C=C1OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=CC3=C(NC(=NC3=O)C(=O)OCC)N=C2C=C1OCC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O5/c1-3-29-18-11-15-10-16-20(25-21(26-22(16)27)23(28)30-4-2)24-17(15)12-19(18)31-13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3,(H,24,25,26,27)