methyl 4-fluoranyl-3-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]benzoate

Systemtic Name: methyl 4-fluoranyl-3-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]benzoate Openeye Name: methyl 3-[[2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-fluoro-benzoate CAS Name: 4-fluoro-3-[[3-(1H-indol-3-yl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-fluoro-3-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]benzoate Traditional Name: 3-[[2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-fluoro-benzoic acid methyl ester Formula: C27H24FN3O5 MolecularWeight: 489.494963

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)F)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)F)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H24FN3O5/c1-35-26(33)18-11-12-21(28)23(13-18)30-25(32)24(14-19-15-29-22-10-6-5-9-20(19)22)31-27(34)36-16-17-7-3-2-4-8-17/h2-13,15,24,29H,14,16H2,1H3,(H,30,32)(H,31,34)