1-(3-butoxyphenyl)carbonyl-6,7-dimethoxy-isoquinoline-4-carboxylic acid

Systemtic Name: 1-(3-butoxyphenyl)carbonyl-6,7-dimethoxy-isoquinoline-4-carboxylic acid Openeye Name: 1-(3-butoxybenzoyl)-6,7-dimethoxy-isoquinoline-4-carboxylic acid CAS Name: 1-[(3-butoxyphenyl)-oxomethyl]-6,7-dimethoxy-4-isoquinolinecarboxylic acid IUPAC Name: 1-(3-butoxybenzoyl)-6,7-dimethoxyisoquinoline-4-carboxylic acid Traditional Name: 1-(3-butoxybenzoyl)-6,7-dimethoxy-isoquinoline-4-carboxylic acid Formula: C23H23NO6 MolecularWeight: 409.43182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)C(=O)O

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)C(=O)O

InChI

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