7-methoxy-1-[(3-methoxyphenyl)methyl]-6-(3-oxidanylpropoxy)-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 7-methoxy-1-[(3-methoxyphenyl)methyl]-6-(3-oxidanylpropoxy)-1H-isoquinoline-2-carboxylic acid Openeye Name: 6-(3-hydroxypropoxy)-7-methoxy-1-[(3-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylic acid CAS Name: 6-(3-hydroxypropoxy)-7-methoxy-1-[(3-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylic acid IUPAC Name: 6-(3-hydroxypropoxy)-7-methoxy-1-[(3-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylic acid Traditional Name: 6-(3-hydroxypropoxy)-1-m-anisyl-7-methoxy-1H-isoquinoline-2-carboxylic acid Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2C3=CC(=C(C=C3C=CN2C(=O)O)OCCCO)OC

Isomeric SMILES

COC1=CC=CC(=C1)CC2C3=CC(=C(C=C3C=CN2C(=O)O)OCCCO)OC

InChI

InChI=1S/C22H25NO6/c1-27-17-6-3-5-15(11-17)12-19-18-14-20(28-2)21(29-10-4-9-24)13-16(18)7-8-23(19)22(25)26/h3,5-8,11,13-14,19,24H,4,9-10,12H2,1-2H3,(H,25,26)