ethyl 6,7-dimethoxy-1-(3-methoxyphenyl)carbonyl-isoquinoline-4-carboxylate

Systemtic Name: ethyl 6,7-dimethoxy-1-(3-methoxyphenyl)carbonyl-isoquinoline-4-carboxylate Openeye Name: ethyl 6,7-dimethoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylate CAS Name: 6,7-dimethoxy-1-[(3-methoxyphenyl)-oxomethyl]-4-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dimethoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylate Traditional Name: 1-m-anisoyl-6,7-dimethoxy-isoquinoline-4-carboxylic acid ethyl ester Formula: C22H21NO6 MolecularWeight: 395.40524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C2=CC(=C(C=C21)OC)OC)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(C2=CC(=C(C=C21)OC)OC)C(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H21NO6/c1-5-29-22(25)17-12-23-20(21(24)13-7-6-8-14(9-13)26-2)16-11-19(28-4)18(27-3)10-15(16)17/h6-12H,5H2,1-4H3