iodanylmethyl 3-[2-(1-benzofuran-2-ylmethoxycarbonylamino)-2-methyl-3-oxidanylidene-3-(1-phenylethylamino)propyl]indole-1-carboxylate

Systemtic Name: iodanylmethyl 3-[2-(1-benzofuran-2-ylmethoxycarbonylamino)-2-methyl-3-oxidanylidene-3-(1-phenylethylamino)propyl]indole-1-carboxylate Openeye Name: iodomethyl 3-[2-(benzofuran-2-ylmethoxycarbonylamino)-2-methyl-3-oxo-3-(1-phenylethylamino)propyl]indole-1-carboxylate CAS Name: 3-[2-[[2-benzofuranylmethoxy(oxo)methyl]amino]-2-methyl-3-oxo-3-(1-phenylethylamino)propyl]-1-indolecarboxylic acid iodomethyl ester IUPAC Name: iodomethyl 3-[2-(1-benzofuran-2-ylmethoxycarbonylamino)-2-methyl-3-oxo-3-(1-phenylethylamino)propyl]indole-1-carboxylate Traditional Name: 3-[2-(benzofuran-2-ylmethoxycarbonylamino)-3-keto-2-methyl-3-(1-phenylethylamino)propyl]indole-1-carboxylic acid iodomethyl ester Formula: C32H30IN3O6 MolecularWeight: 679.50157

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)(CC2=CN(C3=CC=CC=C32)C(=O)OCI)NC(=O)OCC4=CC5=CC=CC=C5O4

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(C)(CC2=CN(C3=CC=CC=C32)C(=O)OCI)NC(=O)OCC4=CC5=CC=CC=C5O4

InChI

InChI=1S/C32H30IN3O6/c1-21(22-10-4-3-5-11-22)34-29(37)32(2,35-30(38)40-19-25-16-23-12-6-9-15-28(23)42-25)17-24-18-36(31(39)41-20-33)27-14-8-7-13-26(24)27/h3-16,18,21H,17,19-20H2,1-2H3,(H,34,37)(H,35,38)