methyl 4-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxy-2-oxidanylidene-ethyl)-3-methyl-1H-isoquinoline-2-carboxylate

Systemtic Name: methyl 4-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxy-2-oxidanylidene-ethyl)-3-methyl-1H-isoquinoline-2-carboxylate Openeye Name: methyl 4-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxy-2-oxo-ethyl)-3-methyl-1H-isoquinoline-2-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxy-2-oxoethyl)-3-methyl-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 4-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxy-2-oxoethyl)-3-methyl-1H-isoquinoline-2-carboxylate Traditional Name: 1-(2-keto-2-methoxy-ethyl)-3-methyl-4-piperonyl-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C23H23NO6 MolecularWeight: 409.43182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C(N1C(=O)OC)CC(=O)OC)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C2=CC=CC=C2C(N1C(=O)OC)CC(=O)OC)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H23NO6/c1-14-18(10-15-8-9-20-21(11-15)30-13-29-20)16-6-4-5-7-17(16)19(12-22(25)27-2)24(14)23(26)28-3/h4-9,11,19H,10,12-13H2,1-3H3