methyl 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(2-oxidanylidenepropyl)-1H-isoquinoline-2-carboxylate

Systemtic Name: methyl 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(2-oxidanylidenepropyl)-1H-isoquinoline-2-carboxylate Openeye Name: methyl 1-acetonyl-3-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1H-isoquinoline-2-carboxylate CAS Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(2-oxopropyl)-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(2-oxopropyl)-1H-isoquinoline-2-carboxylate Traditional Name: 1-acetonyl-3-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C23H21NO5 MolecularWeight: 391.41654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1C2=CC=CC=C2C=C(N1C(=O)OC)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)CC1C2=CC=CC=C2C=C(N1C(=O)OC)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H21NO5/c1-15(25)11-20-19-6-4-3-5-17(19)13-18(24(20)23(26)27-2)9-7-16-8-10-21-22(12-16)29-14-28-21/h3-10,12-13,20H,11,14H2,1-2H3/b9-7+