methyl N-[6,7-dimethoxy-1-(3-methoxyphenyl)carbonyl-isoquinolin-4-yl]carbamate

Systemtic Name: methyl N-[6,7-dimethoxy-1-(3-methoxyphenyl)carbonyl-isoquinolin-4-yl]carbamate Openeye Name: methyl N-[6,7-dimethoxy-1-(3-methoxybenzoyl)-4-isoquinolyl]carbamate CAS Name: N-[6,7-dimethoxy-1-[(3-methoxyphenyl)-oxomethyl]-4-isoquinolinyl]carbamic acid methyl ester IUPAC Name: methyl N-[6,7-dimethoxy-1-(3-methoxybenzoyl)isoquinolin-4-yl]carbamate Traditional Name: N-(1-m-anisoyl-6,7-dimethoxy-4-isoquinolyl)carbamic acid methyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)NC(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)NC(=O)OC

InChI

InChI=1S/C21H20N2O6/c1-26-13-7-5-6-12(8-13)20(24)19-15-10-18(28-3)17(27-2)9-14(15)16(11-22-19)23-21(25)29-4/h5-11H,1-4H3,(H,23,25)