1-(3-butan-2-ylphenyl)carbonyl-6,7-dimethoxy-isoquinoline-4-carboxylic acid

Systemtic Name: 1-(3-butan-2-ylphenyl)carbonyl-6,7-dimethoxy-isoquinoline-4-carboxylic acid Openeye Name: 6,7-dimethoxy-1-(3-sec-butylbenzoyl)isoquinoline-4-carboxylic acid CAS Name: 1-[(3-butan-2-ylphenyl)-oxomethyl]-6,7-dimethoxy-4-isoquinolinecarboxylic acid IUPAC Name: 1-(3-butan-2-ylbenzoyl)-6,7-dimethoxyisoquinoline-4-carboxylic acid Traditional Name: 6,7-dimethoxy-1-(3-sec-butylbenzoyl)isoquinoline-4-carboxylic acid Formula: C23H23NO5 MolecularWeight: 393.43242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO5/c1-5-13(2)14-7-6-8-15(9-14)22(25)21-17-11-20(29-4)19(28-3)10-16(17)18(12-24-21)23(26)27/h6-13H,5H2,1-4H3,(H,26,27)