6-(3-acetyloxypropoxy)-4-methanoyl-7-methoxy-1-[(3-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 6-(3-acetyloxypropoxy)-4-methanoyl-7-methoxy-1-[(3-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylic acid Openeye Name: 6-(3-acetoxypropoxy)-4-formyl-7-methoxy-1-[(3-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylic acid CAS Name: 6-(3-acetyloxypropoxy)-4-formyl-7-methoxy-1-[(3-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylic acid IUPAC Name: 6-(3-acetyloxypropoxy)-4-formyl-7-methoxy-1-[(3-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylic acid Traditional Name: 6-(3-acetoxypropoxy)-4-formyl-1-m-anisyl-7-methoxy-1H-isoquinoline-2-carboxylic acid Formula: C25H27NO8 MolecularWeight: 469.48378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCOC1=C(C=C2C(N(C=C(C2=C1)C=O)C(=O)O)CC3=CC(=CC=C3)OC)OC

Isomeric SMILES

CC(=O)OCCCOC1=C(C=C2C(N(C=C(C2=C1)C=O)C(=O)O)CC3=CC(=CC=C3)OC)OC

InChI

InChI=1S/C25H27NO8/c1-16(28)33-8-5-9-34-24-12-20-18(15-27)14-26(25(29)30)22(21(20)13-23(24)32-3)11-17-6-4-7-19(10-17)31-2/h4,6-7,10,12-15,22H,5,8-9,11H2,1-3H3,(H,29,30)