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

Systemtic Name: 6-butoxy-4-methanoyl-7-methoxy-1-[(3-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylic acid Openeye Name: 6-butoxy-4-formyl-7-methoxy-1-[(3-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylic acid CAS Name: 6-butoxy-4-formyl-7-methoxy-1-[(3-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylic acid IUPAC Name: 6-butoxy-4-formyl-7-methoxy-1-[(3-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylic acid Traditional Name: 6-butoxy-4-formyl-1-m-anisyl-7-methoxy-1H-isoquinoline-2-carboxylic acid Formula: C24H27NO6 MolecularWeight: 425.47428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C2C(N(C=C(C2=C1)C=O)C(=O)O)CC3=CC(=CC=C3)OC)OC

Isomeric SMILES

CCCCOC1=C(C=C2C(N(C=C(C2=C1)C=O)C(=O)O)CC3=CC(=CC=C3)OC)OC

InChI

InChI=1S/C24H27NO6/c1-4-5-9-31-23-12-19-17(15-26)14-25(24(27)28)21(20(19)13-22(23)30-3)11-16-7-6-8-18(10-16)29-2/h6-8,10,12-15,21H,4-5,9,11H2,1-3H3,(H,27,28)