methyl 3-[6,7-dimethoxy-1-(3-propan-2-yloxyphenyl)carbonyl-isoquinolin-4-yl]propanoate

Systemtic Name: methyl 3-[6,7-dimethoxy-1-(3-propan-2-yloxyphenyl)carbonyl-isoquinolin-4-yl]propanoate Openeye Name: methyl 3-[1-(3-isopropoxybenzoyl)-6,7-dimethoxy-4-isoquinolyl]propanoate CAS Name: 3-[6,7-dimethoxy-1-[oxo-(3-propan-2-yloxyphenyl)methyl]-4-isoquinolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[6,7-dimethoxy-1-(3-propan-2-yloxybenzoyl)isoquinolin-4-yl]propanoate Traditional Name: 3-[1-(3-isopropoxybenzoyl)-6,7-dimethoxy-4-isoquinolyl]propionic acid methyl ester Formula: C25H27NO6 MolecularWeight: 437.48498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)CCC(=O)OC

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)CCC(=O)OC

InChI

InChI=1S/C25H27NO6/c1-15(2)32-18-8-6-7-16(11-18)25(28)24-20-13-22(30-4)21(29-3)12-19(20)17(14-26-24)9-10-23(27)31-5/h6-8,11-15H,9-10H2,1-5H3