(3S,4S)-6,7-dimethoxy-3-(9-methylcarbazol-3-yl)-1-oxidanylidene-3,4-dihydroisochromene-4-carboxylic acid

Systemtic Name: (3S,4S)-6,7-dimethoxy-3-(9-methylcarbazol-3-yl)-1-oxidanylidene-3,4-dihydroisochromene-4-carboxylic acid Openeye Name: (3S,4S)-6,7-dimethoxy-3-(9-methylcarbazol-3-yl)-1-oxo-isochromane-4-carboxylic acid CAS Name: (3S,4S)-6,7-dimethoxy-3-(9-methyl-3-carbazolyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid IUPAC Name: (3S,4S)-6,7-dimethoxy-3-(9-methylcarbazol-3-yl)-1-oxo-3,4-dihydroisochromene-4-carboxylic acid Traditional Name: (3S,4S)-1-keto-6,7-dimethoxy-3-(9-methylcarbazol-3-yl)isochroman-4-carboxylic acid Formula: C25H21NO6 MolecularWeight: 431.43734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C3C(C4=CC(=C(C=C4C(=O)O3)OC)OC)C(=O)O)C5=CC=CC=C51

Isomeric SMILES

CN1C2=C(C=C(C=C2)[C@@H]3[C@H](C4=CC(=C(C=C4C(=O)O3)OC)OC)C(=O)O)C5=CC=CC=C51

InChI

InChI=1S/C25H21NO6/c1-26-18-7-5-4-6-14(18)15-10-13(8-9-19(15)26)23-22(24(27)28)16-11-20(30-2)21(31-3)12-17(16)25(29)32-23/h4-12,22-23H,1-3H3,(H,27,28)/t22-,23+/m0/s1