methyl 2-[6-[(6-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-1,3-benzodioxol-5-yl]ethanoate

Systemtic Name: methyl 2-[6-[(6-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-1,3-benzodioxol-5-yl]ethanoate Openeye Name: methyl 2-[6-[(6-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-1,3-benzodioxol-5-yl]acetate CAS Name: 2-[6-[(6-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-1,3-benzodioxol-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-[(6-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-1,3-benzodioxol-5-yl]acetate Traditional Name: 2-[6-[(6-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-1,3-benzodioxol-5-yl]acetic acid methyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NCC2)CC3=CC4=C(C=C3CC(=O)OC)OCO4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NCC2)CC3=CC4=C(C=C3CC(=O)OC)OCO4

InChI

InChI=1S/C21H21NO5/c1-24-16-3-4-17-13(7-16)5-6-22-18(17)8-14-9-19-20(27-12-26-19)10-15(14)11-21(23)25-2/h3-4,7,9-10H,5-6,8,11-12H2,1-2H3