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

Systemtic Name: methyl 2-[1-[(3-butan-2-yloxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-4-yl]ethanoate Openeye Name: methyl 2-[6,7-dimethoxy-1-[(3-sec-butoxyphenyl)methyl]-4-isoquinolyl]acetate CAS Name: 2-[1-[(3-butan-2-yloxyphenyl)methyl]-6,7-dimethoxy-4-isoquinolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[(3-butan-2-yloxyphenyl)methyl]-6,7-dimethoxyisoquinolin-4-yl]acetate Traditional Name: 2-[6,7-dimethoxy-1-(3-sec-butoxybenzyl)-4-isoquinolyl]acetic acid methyl ester Formula: C25H29NO5 MolecularWeight: 423.50146

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO5/c1-6-16(2)31-19-9-7-8-17(10-19)11-22-21-14-24(29-4)23(28-3)13-20(21)18(15-26-22)12-25(27)30-5/h7-10,13-16H,6,11-12H2,1-5H3