methyl 4-iodanyl-5-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enyl-amino]-1H-indole-2-carboxylate

Systemtic Name: methyl 4-iodanyl-5-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enyl-amino]-1H-indole-2-carboxylate Openeye Name: methyl 5-[allyl(tert-butoxycarbonyl)amino]-4-iodo-1H-indole-2-carboxylate CAS Name: 4-iodo-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]-prop-2-enylamino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-iodo-5-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]-1H-indole-2-carboxylate Traditional Name: 5-[allyl(tert-butoxycarbonyl)amino]-4-iodo-1H-indole-2-carboxylic acid methyl ester Formula: C18H21IN2O4 MolecularWeight: 456.27481

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC=C)C1=C(C2=C(C=C1)NC(=C2)C(=O)OC)I

Isomeric SMILES

CC(C)(C)OC(=O)N(CC=C)C1=C(C2=C(C=C1)NC(=C2)C(=O)OC)I

InChI

InChI=1S/C18H21IN2O4/c1-6-9-21(17(23)25-18(2,3)4)14-8-7-12-11(15(14)19)10-13(20-12)16(22)24-5/h6-8,10,20H,1,9H2,2-5H3