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

Systemtic Name: 7-butoxy-6-methoxy-1-(3-methoxyphenyl)carbonyl-isoquinoline-4-carboxylic acid Openeye Name: 7-butoxy-6-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid CAS Name: 7-butoxy-6-methoxy-1-[(3-methoxyphenyl)-oxomethyl]-4-isoquinolinecarboxylic acid IUPAC Name: 7-butoxy-6-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid Traditional Name: 7-butoxy-1-m-anisoyl-6-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(=NC=C2C(=O)O)C(=O)C3=CC(=CC=C3)OC)OC

Isomeric SMILES

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

InChI

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