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

Systemtic Name: 6-(3-acetyloxypropoxy)-7-methoxy-1-[(3-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylic acid Openeye Name: 6-(3-acetoxypropoxy)-7-methoxy-1-[(3-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylic acid CAS Name: 6-(3-acetyloxypropoxy)-7-methoxy-1-[(3-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylic acid IUPAC Name: 6-(3-acetyloxypropoxy)-7-methoxy-1-[(3-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylic acid Traditional Name: 6-(3-acetoxypropoxy)-1-m-anisyl-7-methoxy-1H-isoquinoline-2-carboxylic acid Formula: C24H27NO7 MolecularWeight: 441.47368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCOC1=C(C=C2C(N(C=CC2=C1)C(=O)O)CC3=CC(=CC=C3)OC)OC

Isomeric SMILES

CC(=O)OCCCOC1=C(C=C2C(N(C=CC2=C1)C(=O)O)CC3=CC(=CC=C3)OC)OC

InChI

InChI=1S/C24H27NO7/c1-16(26)31-10-5-11-32-23-14-18-8-9-25(24(27)28)21(20(18)15-22(23)30-3)13-17-6-4-7-19(12-17)29-2/h4,6-9,12,14-15,21H,5,10-11,13H2,1-3H3,(H,27,28)