6-(3-acetyloxypropoxy)-7-methoxy-1-(3-propan-2-yloxyphenyl)carbonyl-isoquinoline-4-carboxylic acid

Systemtic Name: 6-(3-acetyloxypropoxy)-7-methoxy-1-(3-propan-2-yloxyphenyl)carbonyl-isoquinoline-4-carboxylic acid Openeye Name: 6-(3-acetoxypropoxy)-1-(3-isopropoxybenzoyl)-7-methoxy-isoquinoline-4-carboxylic acid CAS Name: 6-(3-acetyloxypropoxy)-7-methoxy-1-[oxo-(3-propan-2-yloxyphenyl)methyl]-4-isoquinolinecarboxylic acid IUPAC Name: 6-(3-acetyloxypropoxy)-7-methoxy-1-(3-propan-2-yloxybenzoyl)isoquinoline-4-carboxylic acid Traditional Name: 6-(3-acetoxypropoxy)-1-(3-isopropoxybenzoyl)-7-methoxy-isoquinoline-4-carboxylic acid Formula: C26H27NO8 MolecularWeight: 481.49448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OCCCOC(=O)C)C(=O)O

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OCCCOC(=O)C)C(=O)O

InChI

InChI=1S/C26H27NO8/c1-15(2)35-18-8-5-7-17(11-18)25(29)24-20-13-22(32-4)23(34-10-6-9-33-16(3)28)12-19(20)21(14-27-24)26(30)31/h5,7-8,11-15H,6,9-10H2,1-4H3,(H,30,31)