methyl N-[3-(2-acetamidoethyl)-2-iodanyl-1H-indol-5-yl]carbamate

Systemtic Name: methyl N-[3-(2-acetamidoethyl)-2-iodanyl-1H-indol-5-yl]carbamate Openeye Name: methyl N-[3-(2-acetamidoethyl)-2-iodo-1H-indol-5-yl]carbamate CAS Name: N-[3-(2-acetamidoethyl)-2-iodo-1H-indol-5-yl]carbamic acid methyl ester IUPAC Name: methyl N-[3-(2-acetamidoethyl)-2-iodo-1H-indol-5-yl]carbamate Traditional Name: N-[3-(2-acetamidoethyl)-2-iodo-1H-indol-5-yl]carbamic acid methyl ester Formula: C14H16IN3O3 MolecularWeight: 401.19961

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=C(NC2=C1C=C(C=C2)NC(=O)OC)I

Isomeric SMILES

CC(=O)NCCC1=C(NC2=C1C=C(C=C2)NC(=O)OC)I

InChI

InChI=1S/C14H16IN3O3/c1-8(19)16-6-5-10-11-7-9(17-14(20)21-2)3-4-12(11)18-13(10)15/h3-4,7,18H,5-6H2,1-2H3,(H,16,19)(H,17,20)