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

Systemtic Name: 6-(3-acetyloxypropoxy)-1-[(3-ethoxyphenyl)methyl]-4-methanoyl-7-methoxy-1H-isoquinoline-2-carboxylic acid Openeye Name: 6-(3-acetoxypropoxy)-1-[(3-ethoxyphenyl)methyl]-4-formyl-7-methoxy-1H-isoquinoline-2-carboxylic acid CAS Name: 6-(3-acetyloxypropoxy)-1-[(3-ethoxyphenyl)methyl]-4-formyl-7-methoxy-1H-isoquinoline-2-carboxylic acid IUPAC Name: 6-(3-acetyloxypropoxy)-1-[(3-ethoxyphenyl)methyl]-4-formyl-7-methoxy-1H-isoquinoline-2-carboxylic acid Traditional Name: 6-(3-acetoxypropoxy)-1-(3-ethoxybenzyl)-4-formyl-7-methoxy-1H-isoquinoline-2-carboxylic acid Formula: C26H29NO8 MolecularWeight: 483.51036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CC2C3=CC(=C(C=C3C(=CN2C(=O)O)C=O)OCCCOC(=O)C)OC

Isomeric SMILES

CCOC1=CC=CC(=C1)CC2C3=CC(=C(C=C3C(=CN2C(=O)O)C=O)OCCCOC(=O)C)OC

InChI

InChI=1S/C26H29NO8/c1-4-33-20-8-5-7-18(11-20)12-23-22-14-24(32-3)25(35-10-6-9-34-17(2)29)13-21(22)19(16-28)15-27(23)26(30)31/h5,7-8,11,13-16,23H,4,6,9-10,12H2,1-3H3,(H,30,31)