3-[2-[1-benzofuran-2-yl(methoxycarbonyl)amino]-2-methyl-3-oxidanylidene-3-(1-phenylethylamino)propyl]indole-1-carboxylic acid

Systemtic Name: 3-[2-[1-benzofuran-2-yl(methoxycarbonyl)amino]-2-methyl-3-oxidanylidene-3-(1-phenylethylamino)propyl]indole-1-carboxylic acid Openeye Name: 3-[2-[benzofuran-2-yl(methoxycarbonyl)amino]-2-methyl-3-oxo-3-(1-phenylethylamino)propyl]indole-1-carboxylic acid CAS Name: 3-[2-[2-benzofuranyl(methoxycarbonyl)amino]-2-methyl-3-oxo-3-(1-phenylethylamino)propyl]-1-indolecarboxylic acid IUPAC Name: 3-[2-[1-benzofuran-2-yl(methoxycarbonyl)amino]-2-methyl-3-oxo-3-(1-phenylethylamino)propyl]indole-1-carboxylic acid Traditional Name: 3-[2-[benzofuran-2-yl(carbomethoxy)amino]-3-keto-2-methyl-3-(1-phenylethylamino)propyl]indole-1-carboxylic acid Formula: C31H29N3O6 MolecularWeight: 539.57846

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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)O)N(C4=CC5=CC=CC=C5O4)C(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(C)(CC2=CN(C3=CC=CC=C32)C(=O)O)N(C4=CC5=CC=CC=C5O4)C(=O)OC

InChI

InChI=1S/C31H29N3O6/c1-20(21-11-5-4-6-12-21)32-28(35)31(2,18-23-19-33(29(36)37)25-15-9-8-14-24(23)25)34(30(38)39-3)27-17-22-13-7-10-16-26(22)40-27/h4-17,19-20H,18H2,1-3H3,(H,32,35)(H,36,37)