[3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate Openeye Name: [3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-benzamido-3-(1H-indol-3-yl)propanoic acid [3,5-bis(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-benzamido-3-(1H-indol-3-yl)propionic acid [3,5-bis(trifluoromethyl)benzyl] ester Formula: C27H20F6N2O3 MolecularWeight: 534.449719

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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(=CC(=C4)C(F)(F)F)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(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C27H20F6N2O3/c28-26(29,30)19-10-16(11-20(13-19)27(31,32)33)15-38-25(37)23(35-24(36)17-6-2-1-3-7-17)12-18-14-34-22-9-5-4-8-21(18)22/h1-11,13-14,23,34H,12,15H2,(H,35,36)/t23-/m0/s1