methyl 1-[5-(iodanylmethyl)-2-oxidanylidene-oxolan-3-yl]-1H-isoquinoline-2-carboxylate

Systemtic Name: methyl 1-[5-(iodanylmethyl)-2-oxidanylidene-oxolan-3-yl]-1H-isoquinoline-2-carboxylate Openeye Name: methyl 1-[5-(iodomethyl)-2-oxo-tetrahydrofuran-3-yl]-1H-isoquinoline-2-carboxylate CAS Name: 1-[5-(iodomethyl)-2-oxo-3-oxolanyl]-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 1-[5-(iodomethyl)-2-oxooxolan-3-yl]-1H-isoquinoline-2-carboxylate Traditional Name: 1-[5-(iodomethyl)-2-keto-tetrahydrofuran-3-yl]-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C16H16INO4 MolecularWeight: 413.20701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C=CC2=CC=CC=C2C1C3CC(OC3=O)CI

Isomeric SMILES

COC(=O)N1C=CC2=CC=CC=C2C1C3CC(OC3=O)CI

InChI

InChI=1S/C16H16INO4/c1-21-16(20)18-7-6-10-4-2-3-5-12(10)14(18)13-8-11(9-17)22-15(13)19/h2-7,11,13-14H,8-9H2,1H3