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

Systemtic Name: 7-methoxy-6-(3-oxidanylpropoxy)-1-(3-propan-2-yloxyphenyl)carbonyl-isoquinoline-4-carboxylic acid Openeye Name: 6-(3-hydroxypropoxy)-1-(3-isopropoxybenzoyl)-7-methoxy-isoquinoline-4-carboxylic acid CAS Name: 6-(3-hydroxypropoxy)-7-methoxy-1-[oxo-(3-propan-2-yloxyphenyl)methyl]-4-isoquinolinecarboxylic acid IUPAC Name: 6-(3-hydroxypropoxy)-7-methoxy-1-(3-propan-2-yloxybenzoyl)isoquinoline-4-carboxylic acid Traditional Name: 6-(3-hydroxypropoxy)-1-(3-isopropoxybenzoyl)-7-methoxy-isoquinoline-4-carboxylic acid Formula: C24H25NO7 MolecularWeight: 439.4578

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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)OCCCO)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO7/c1-14(2)32-16-7-4-6-15(10-16)23(27)22-18-12-20(30-3)21(31-9-5-8-26)11-17(18)19(13-25-22)24(28)29/h4,6-7,10-14,26H,5,8-9H2,1-3H3,(H,28,29)