methyl 3-[[3-(hydroxymethyl)-3-(6-oxidanyl-1,3-benzodioxol-5-yl)-2-oxidanylidene-indol-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[3-(hydroxymethyl)-3-(6-oxidanyl-1,3-benzodioxol-5-yl)-2-oxidanylidene-indol-1-yl]methyl]benzoate Openeye Name: methyl 3-[[3-(6-hydroxy-1,3-benzodioxol-5-yl)-3-(hydroxymethyl)-2-oxo-indolin-1-yl]methyl]benzoate CAS Name: 3-[[3-(6-hydroxy-1,3-benzodioxol-5-yl)-3-(hydroxymethyl)-2-oxo-1-indolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(6-hydroxy-1,3-benzodioxol-5-yl)-3-(hydroxymethyl)-2-oxoindol-1-yl]methyl]benzoate Traditional Name: 3-[[3-(6-hydroxy-1,3-benzodioxol-5-yl)-2-keto-3-methylol-indolin-1-yl]methyl]benzoic acid methyl ester Formula: C25H21NO7 MolecularWeight: 447.43674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2C3=CC=CC=C3C(C2=O)(CO)C4=CC5=C(C=C4O)OCO5

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2C3=CC=CC=C3C(C2=O)(CO)C4=CC5=C(C=C4O)OCO5

InChI

InChI=1S/C25H21NO7/c1-31-23(29)16-6-4-5-15(9-16)12-26-19-8-3-2-7-17(19)25(13-27,24(26)30)18-10-21-22(11-20(18)28)33-14-32-21/h2-11,27-28H,12-14H2,1H3