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

Systemtic Name: 6-butoxy-7-methoxy-1-(3-methoxyphenyl)carbonyl-isoquinoline-4-carboxylic acid Openeye Name: 6-butoxy-7-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid CAS Name: 6-butoxy-7-methoxy-1-[(3-methoxyphenyl)-oxomethyl]-4-isoquinolinecarboxylic acid IUPAC Name: 6-butoxy-7-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid Traditional Name: 6-butoxy-1-m-anisoyl-7-methoxy-isoquinoline-4-carboxylic acid Formula: C23H23NO6 MolecularWeight: 409.43182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C2C(=C1)C(=CN=C2C(=O)C3=CC(=CC=C3)OC)C(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C2C(=C1)C(=CN=C2C(=O)C3=CC(=CC=C3)OC)C(=O)O)OC

InChI

InChI=1S/C23H23NO6/c1-4-5-9-30-20-11-16-17(12-19(20)29-3)21(24-13-18(16)23(26)27)22(25)14-7-6-8-15(10-14)28-2/h6-8,10-13H,4-5,9H2,1-3H3,(H,26,27)