methyl 2-[2-(1,3-benzodioxol-5-ylcarbamoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: methyl 2-[2-(1,3-benzodioxol-5-ylcarbamoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[2-(1,3-benzodioxol-5-ylcarbamoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzodioxol-5-ylcarbamoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[2-(1,3-benzodioxol-5-ylcarbamoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester Formula: C22H24N2O7 MolecularWeight: 428.43516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=CC4=C(C=C3)OCO4)CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=CC4=C(C=C3)OCO4)CC(=O)OC)OC

InChI

InChI=1S/C22H24N2O7/c1-27-18-8-13-6-7-24(16(11-21(25)29-3)15(13)10-19(18)28-2)22(26)23-14-4-5-17-20(9-14)31-12-30-17/h4-5,8-10,16H,6-7,11-12H2,1-3H3,(H,23,26)