6,7-dimethoxy-1-[3-(2-methylpropoxy)phenyl]carbonyl-isoquinoline-4-carboxylic acid

Systemtic Name: 6,7-dimethoxy-1-[3-(2-methylpropoxy)phenyl]carbonyl-isoquinoline-4-carboxylic acid Openeye Name: 1-(3-isobutoxybenzoyl)-6,7-dimethoxy-isoquinoline-4-carboxylic acid CAS Name: 6,7-dimethoxy-1-[[3-(2-methylpropoxy)phenyl]-oxomethyl]-4-isoquinolinecarboxylic acid IUPAC Name: 6,7-dimethoxy-1-[3-(2-methylpropoxy)benzoyl]isoquinoline-4-carboxylic acid Traditional Name: 1-(3-isobutoxybenzoyl)-6,7-dimethoxy-isoquinoline-4-carboxylic acid Formula: C23H23NO6 MolecularWeight: 409.43182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO6/c1-13(2)12-30-15-7-5-6-14(8-15)22(25)21-17-10-20(29-4)19(28-3)9-16(17)18(11-24-21)23(26)27/h5-11,13H,12H2,1-4H3,(H,26,27)