methyl 6-[3-(cyanomethyl)-4-methoxy-indol-1-yl]-4,5-bis(oxidanyl)oxane-2-carboxylate

Systemtic Name: methyl 6-[3-(cyanomethyl)-4-methoxy-indol-1-yl]-4,5-bis(oxidanyl)oxane-2-carboxylate Openeye Name: methyl 6-[3-(cyanomethyl)-4-methoxy-indol-1-yl]-4,5-dihydroxy-tetrahydropyran-2-carboxylate CAS Name: 6-[3-(cyanomethyl)-4-methoxy-1-indolyl]-4,5-dihydroxy-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl 6-[3-(cyanomethyl)-4-methoxyindol-1-yl]-4,5-dihydroxyoxane-2-carboxylate Traditional Name: 6-[3-(cyanomethyl)-4-methoxy-indol-1-yl]-4,5-dihydroxy-tetrahydropyran-2-carboxylic acid methyl ester Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=CN2C3C(C(CC(O3)C(=O)OC)O)O)CC#N

Isomeric SMILES

COC1=CC=CC2=C1C(=CN2C3C(C(CC(O3)C(=O)OC)O)O)CC#N

InChI

InChI=1S/C18H20N2O6/c1-24-13-5-3-4-11-15(13)10(6-7-19)9-20(11)17-16(22)12(21)8-14(26-17)18(23)25-2/h3-5,9,12,14,16-17,21-22H,6,8H2,1-2H3