4-[(9,10-dimethoxy-4-oxidanylidene-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)oxy]-3-ethoxy-benzaldehyde

Systemtic Name: 4-[(9,10-dimethoxy-4-oxidanylidene-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)oxy]-3-ethoxy-benzaldehyde Openeye Name: 4-[(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)oxy]-3-ethoxy-benzaldehyde CAS Name: 4-[(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)oxy]-3-ethoxybenzaldehyde IUPAC Name: 4-[(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)oxy]-3-ethoxybenzaldehyde Traditional Name: 3-ethoxy-4-[(4-keto-9,10-dimethoxy-6,7-dihydropyrimid[6,1-a]isoquinolin-2-yl)oxy]benzaldehyde Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=O)OC2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=O)OC2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC

InChI

InChI=1S/C23H22N2O6/c1-4-30-21-9-14(13-26)5-6-18(21)31-22-12-17-16-11-20(29-3)19(28-2)10-15(16)7-8-25(17)23(27)24-22/h5-6,9-13H,4,7-8H2,1-3H3