methyl 2-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate

Systemtic Name: methyl 2-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate Openeye Name: methyl 2-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate CAS Name: 2-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate Traditional Name: 2-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid methyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CN3CCC4=C(C3)C=CC(=C4)C(=O)OC)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CN3CCC4=C(C3)C=CC(=C4)C(=O)OC)OCO2

InChI

InChI=1S/C22H22N2O6/c1-13(25)17-8-19-20(30-12-29-19)9-18(17)23-21(26)11-24-6-5-14-7-15(22(27)28-2)3-4-16(14)10-24/h3-4,7-9H,5-6,10-12H2,1-2H3,(H,23,26)