6,7-dimethoxy-1-[(3-methoxy-5-methyl-phenyl)methyl]isoquinoline-4-carboxylic acid

Systemtic Name: 6,7-dimethoxy-1-[(3-methoxy-5-methyl-phenyl)methyl]isoquinoline-4-carboxylic acid Openeye Name: 6,7-dimethoxy-1-[(3-methoxy-5-methyl-phenyl)methyl]isoquinoline-4-carboxylic acid CAS Name: 6,7-dimethoxy-1-[(3-methoxy-5-methylphenyl)methyl]-4-isoquinolinecarboxylic acid IUPAC Name: 6,7-dimethoxy-1-[(3-methoxy-5-methylphenyl)methyl]isoquinoline-4-carboxylic acid Traditional Name: 6,7-dimethoxy-1-(3-methoxy-5-methyl-benzyl)isoquinoline-4-carboxylic acid Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC)CC2=NC=C(C3=CC(=C(C=C32)OC)OC)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1)OC)CC2=NC=C(C3=CC(=C(C=C32)OC)OC)C(=O)O

InChI

InChI=1S/C21H21NO5/c1-12-5-13(7-14(6-12)25-2)8-18-16-10-20(27-4)19(26-3)9-15(16)17(11-22-18)21(23)24/h5-7,9-11H,8H2,1-4H3,(H,23,24)