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

Systemtic Name: (4-methoxyphenyl)carbonyloxymethyl 3-[2-(1-benzofuran-2-ylmethoxycarbonylamino)-2-methyl-3-oxidanylidene-3-(1-phenylethylamino)propyl]indole-1-carboxylate Openeye Name: (4-methoxybenzoyl)oxymethyl 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 [(4-methoxyphenyl)-oxomethoxy]methyl ester IUPAC Name: (4-methoxybenzoyl)oxymethyl 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 p-anisoyloxymethyl ester Formula: C40H37N3O9 MolecularWeight: 703.73648

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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)OCOC(=O)C4=CC=C(C=C4)OC)NC(=O)OCC5=CC6=CC=CC=C6O5

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(C)(CC2=CN(C3=CC=CC=C32)C(=O)OCOC(=O)C4=CC=C(C=C4)OC)NC(=O)OCC5=CC6=CC=CC=C6O5

InChI

InChI=1S/C40H37N3O9/c1-26(27-11-5-4-6-12-27)41-37(45)40(2,42-38(46)49-24-32-21-29-13-7-10-16-35(29)52-32)22-30-23-43(34-15-9-8-14-33(30)34)39(47)51-25-50-36(44)28-17-19-31(48-3)20-18-28/h4-21,23,26H,22,24-25H2,1-3H3,(H,41,45)(H,42,46)