2-(2-diethylaminoethyl)-1-(2,4-dimethylphenyl)-6,7-dimethoxy-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 2-(2-diethylaminoethyl)-1-(2,4-dimethylphenyl)-6,7-dimethoxy-1H-isoquinoline-4-carboxylic acid Openeye Name: 2-(2-diethylaminoethyl)-1-(2,4-dimethylphenyl)-6,7-dimethoxy-1H-isoquinoline-4-carboxylic acid CAS Name: 2-(2-diethylaminoethyl)-1-(2,4-dimethylphenyl)-6,7-dimethoxy-1H-isoquinoline-4-carboxylic acid IUPAC Name: 2-(2-diethylaminoethyl)-1-(2,4-dimethylphenyl)-6,7-dimethoxy-1H-isoquinoline-4-carboxylic acid Traditional Name: 2-(2-diethylaminoethyl)-1-(2,4-dimethylphenyl)-6,7-dimethoxy-1H-isoquinoline-4-carboxylic acid Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C=C(C2=CC(=C(C=C2C1C3=C(C=C(C=C3)C)C)OC)OC)C(=O)O

Isomeric SMILES

CCN(CC)CCN1C=C(C2=CC(=C(C=C2C1C3=C(C=C(C=C3)C)C)OC)OC)C(=O)O

InChI

InChI=1S/C26H34N2O4/c1-7-27(8-2)11-12-28-16-22(26(29)30)20-14-23(31-5)24(32-6)15-21(20)25(28)19-10-9-17(3)13-18(19)4/h9-10,13-16,25H,7-8,11-12H2,1-6H3,(H,29,30)