6,7-dimethoxy-1-(3-propan-2-yloxyphenyl)carbonyl-isoquinoline-4-carboxylic acid

Systemtic Name: 6,7-dimethoxy-1-(3-propan-2-yloxyphenyl)carbonyl-isoquinoline-4-carboxylic acid Openeye Name: 1-(3-isopropoxybenzoyl)-6,7-dimethoxy-isoquinoline-4-carboxylic acid CAS Name: 6,7-dimethoxy-1-[oxo-(3-propan-2-yloxyphenyl)methyl]-4-isoquinolinecarboxylic acid IUPAC Name: 6,7-dimethoxy-1-(3-propan-2-yloxybenzoyl)isoquinoline-4-carboxylic acid Traditional Name: 1-(3-isopropoxybenzoyl)-6,7-dimethoxy-isoquinoline-4-carboxylic acid Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)C(=O)O

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)C(=O)O

InChI

InChI=1S/C22H21NO6/c1-12(2)29-14-7-5-6-13(8-14)21(24)20-16-10-19(28-4)18(27-3)9-15(16)17(11-23-20)22(25)26/h5-12H,1-4H3,(H,25,26)