(3S)-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3S)-1-keto-N-methyl-3-phenyl-N-piperonyl-isochroman-6-carboxamide Formula: C25H21NO5 MolecularWeight: 415.43794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCO2)C(=O)C3=CC4=C(C=C3)C(=O)OC(C4)C5=CC=CC=C5

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCO2)C(=O)C3=CC4=C(C=C3)C(=O)O[C@@H](C4)C5=CC=CC=C5

InChI

InChI=1S/C25H21NO5/c1-26(14-16-7-10-21-23(11-16)30-15-29-21)24(27)18-8-9-20-19(12-18)13-22(31-25(20)28)17-5-3-2-4-6-17/h2-12,22H,13-15H2,1H3/t22-/m0/s1