methyl 2-[1-[(2-fluoranyl-5-propan-2-yloxy-phenyl)methyl]-6,7-dimethoxy-isoquinolin-4-yl]-3-methyl-butanoate

Systemtic Name: methyl 2-[1-[(2-fluoranyl-5-propan-2-yloxy-phenyl)methyl]-6,7-dimethoxy-isoquinolin-4-yl]-3-methyl-butanoate Openeye Name: methyl 2-[1-[(2-fluoro-5-isopropoxy-phenyl)methyl]-6,7-dimethoxy-4-isoquinolyl]-3-methyl-butanoate CAS Name: 2-[1-[(2-fluoro-5-propan-2-yloxyphenyl)methyl]-6,7-dimethoxy-4-isoquinolinyl]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[1-[(2-fluoro-5-propan-2-yloxyphenyl)methyl]-6,7-dimethoxyisoquinolin-4-yl]-3-methylbutanoate Traditional Name: 2-[1-(2-fluoro-5-isopropoxy-benzyl)-6,7-dimethoxy-4-isoquinolyl]-3-methyl-butyric acid methyl ester Formula: C27H32FNO5 MolecularWeight: 469.545083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CN=C(C2=CC(=C(C=C21)OC)OC)CC3=C(C=CC(=C3)OC(C)C)F)C(=O)OC

Isomeric SMILES

CC(C)C(C1=CN=C(C2=CC(=C(C=C21)OC)OC)CC3=C(C=CC(=C3)OC(C)C)F)C(=O)OC

InChI

InChI=1S/C27H32FNO5/c1-15(2)26(27(30)33-7)21-14-29-23(20-13-25(32-6)24(31-5)12-19(20)21)11-17-10-18(34-16(3)4)8-9-22(17)28/h8-10,12-16,26H,11H2,1-7H3