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

Systemtic Name: ethyl 4-[(9,10-dimethoxy-4-oxidanylidene-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]benzoate Openeye Name: ethyl 4-[(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]benzoate CAS Name: 4-[(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]benzoate Traditional Name: 4-[(4-keto-9,10-dimethoxy-6,7-dihydropyrimid[6,1-a]isoquinolin-2-yl)amino]benzoic acid ethyl ester Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC

InChI

InChI=1S/C23H23N3O5/c1-4-31-22(27)14-5-7-16(8-6-14)24-21-13-18-17-12-20(30-3)19(29-2)11-15(17)9-10-26(18)23(28)25-21/h5-8,11-13H,4,9-10H2,1-3H3,(H,24,25,28)