6-(3-acetyloxypropoxy)-7-methoxy-1-(3-methoxyphenyl)carbonyl-isoquinoline-4-carboxylic acid

Systemtic Name: 6-(3-acetyloxypropoxy)-7-methoxy-1-(3-methoxyphenyl)carbonyl-isoquinoline-4-carboxylic acid Openeye Name: 6-(3-acetoxypropoxy)-7-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid CAS Name: 6-(3-acetyloxypropoxy)-7-methoxy-1-[(3-methoxyphenyl)-oxomethyl]-4-isoquinolinecarboxylic acid IUPAC Name: 6-(3-acetyloxypropoxy)-7-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid Traditional Name: 6-(3-acetoxypropoxy)-1-m-anisoyl-7-methoxy-isoquinoline-4-carboxylic acid Formula: C24H23NO8 MolecularWeight: 453.44132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCOC1=C(C=C2C(=C1)C(=CN=C2C(=O)C3=CC(=CC=C3)OC)C(=O)O)OC

Isomeric SMILES

CC(=O)OCCCOC1=C(C=C2C(=C1)C(=CN=C2C(=O)C3=CC(=CC=C3)OC)C(=O)O)OC

InChI

InChI=1S/C24H23NO8/c1-14(26)32-8-5-9-33-21-11-17-18(12-20(21)31-3)22(25-13-19(17)24(28)29)23(27)15-6-4-7-16(10-15)30-2/h4,6-7,10-13H,5,8-9H2,1-3H3,(H,28,29)