[4-(trifluoromethyl)phenyl]methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: [4-(trifluoromethyl)phenyl]methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate Openeye Name: [4-(trifluoromethyl)phenyl]methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-benzamido-3-(1H-indol-3-yl)propanoic acid [4-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [4-(trifluoromethyl)phenyl]methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-benzamido-3-(1H-indol-3-yl)propionic acid [4-(trifluoromethyl)benzyl] ester Formula: C26H21F3N2O3 MolecularWeight: 466.45175

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)OCC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C26H21F3N2O3/c27-26(28,29)20-12-10-17(11-13-20)16-34-25(33)23(31-24(32)18-6-2-1-3-7-18)14-19-15-30-22-9-5-4-8-21(19)22/h1-13,15,23,30H,14,16H2,(H,31,32)/t23-/m0/s1