(7-methoxy-6-methyl-5-phenylmethoxy-isoquinolin-1-yl)methyl (Z)-2-methylbut-2-enoate

Systemtic Name: (7-methoxy-6-methyl-5-phenylmethoxy-isoquinolin-1-yl)methyl (Z)-2-methylbut-2-enoate Openeye Name: (5-benzyloxy-7-methoxy-6-methyl-1-isoquinolyl)methyl (Z)-2-methylbut-2-enoate CAS Name: (Z)-2-methyl-2-butenoic acid (7-methoxy-6-methyl-5-phenylmethoxy-1-isoquinolinyl)methyl ester IUPAC Name: (7-methoxy-6-methyl-5-phenylmethoxyisoquinolin-1-yl)methyl (Z)-2-methylbut-2-enoate Traditional Name: (Z)-2-methylbut-2-enoic acid (5-benzoxy-7-methoxy-6-methyl-1-isoquinolyl)methyl ester Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(=O)OCC1=NC=CC2=C(C(=C(C=C21)OC)C)OCC3=CC=CC=C3

Isomeric SMILES

C/C=C(/C)\C(=O)OCC1=NC=CC2=C(C(=C(C=C21)OC)C)OCC3=CC=CC=C3

InChI

InChI=1S/C24H25NO4/c1-5-16(2)24(26)29-15-21-20-13-22(27-4)17(3)23(19(20)11-12-25-21)28-14-18-9-7-6-8-10-18/h5-13H,14-15H2,1-4H3/b16-5-