2-[1-[(3-butan-2-yloxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[(3-butan-2-yloxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-4-yl]ethanoic acid Openeye Name: 2-[6,7-dimethoxy-1-[(3-sec-butoxyphenyl)methyl]-4-isoquinolyl]acetic acid CAS Name: 2-[1-[(3-butan-2-yloxyphenyl)methyl]-6,7-dimethoxy-4-isoquinolinyl]acetic acid IUPAC Name: 2-[1-[(3-butan-2-yloxyphenyl)methyl]-6,7-dimethoxyisoquinolin-4-yl]acetic acid Traditional Name: 2-[6,7-dimethoxy-1-(3-sec-butoxybenzyl)-4-isoquinolyl]acetic acid Formula: C24H27NO5 MolecularWeight: 409.47488

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)CC2=NC=C(C3=CC(=C(C=C32)OC)OC)CC(=O)O

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)CC2=NC=C(C3=CC(=C(C=C32)OC)OC)CC(=O)O

InChI

InChI=1S/C24H27NO5/c1-5-15(2)30-18-8-6-7-16(9-18)10-21-20-13-23(29-4)22(28-3)12-19(20)17(14-25-21)11-24(26)27/h6-9,12-15H,5,10-11H2,1-4H3,(H,26,27)