ethyl 1-(9,10-dimethoxy-4-oxidanylidene-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-(9,10-dimethoxy-4-oxidanylidene-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)piperidine-3-carboxylate Openeye Name: ethyl 1-(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)piperidine-3-carboxylate CAS Name: 1-(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)piperidine-3-carboxylate Traditional Name: 1-(4-keto-9,10-dimethoxy-6,7-dihydropyrimid[6,1-a]isoquinolin-2-yl)nipecotic acid ethyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC

InChI

InChI=1S/C22H27N3O5/c1-4-30-21(26)15-6-5-8-24(13-15)20-12-17-16-11-19(29-3)18(28-2)10-14(16)7-9-25(17)22(27)23-20/h10-12,15H,4-9,13H2,1-3H3