O1-tert-butyl O2-methyl 4-iodanyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenylmethoxy-indole-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-methyl 4-iodanyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenylmethoxy-indole-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-methyl 7-benzyloxy-5-(tert-butoxycarbonylamino)-4-iodo-indole-1,2-dicarboxylate CAS Name: 4-iodo-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-phenylmethoxyindole-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester IUPAC Name: 1-O-tert-butyl 2-O-methyl 4-iodo-5-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenylmethoxyindole-1,2-dicarboxylate Traditional Name: 7-benzoxy-5-(tert-butoxycarbonylamino)-4-iodo-indole-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C27H31IN2O7 MolecularWeight: 622.44871

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC(=C2C(=C1I)C=C(N2C(=O)OC(C)(C)C)C(=O)OC)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC(=C2C(=C1I)C=C(N2C(=O)OC(C)(C)C)C(=O)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C27H31IN2O7/c1-26(2,3)36-24(32)29-18-14-20(35-15-16-11-9-8-10-12-16)22-17(21(18)28)13-19(23(31)34-7)30(22)25(33)37-27(4,5)6/h8-14H,15H2,1-7H3,(H,29,32)