(phenylmethyl) 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]propanoate

Systemtic Name: (phenylmethyl) 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]propanoate Openeye Name: benzyl 2-[[2-benzyloxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-1-oxo-1-phenylmethoxypropan-2-yl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-1-oxo-1-phenylmethoxypropan-2-yl]amino]propanoate Traditional Name: 2-[[2-benzoxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-3-(1H-indol-3-yl)propionic acid benzyl ester Formula: C36H33N3O4 MolecularWeight: 571.66492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(CC4=CNC5=CC=CC=C54)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(CC4=CNC5=CC=CC=C54)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C36H33N3O4/c40-35(42-23-25-11-3-1-4-12-25)33(19-27-21-37-31-17-9-7-15-29(27)31)39-34(36(41)43-24-26-13-5-2-6-14-26)20-28-22-38-32-18-10-8-16-30(28)32/h1-18,21-22,33-34,37-39H,19-20,23-24H2