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

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid [4-(2-cyanophenyl)benzyl] ester Formula: C27H23N3O3 MolecularWeight: 437.48982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C27H23N3O3/c1-18(31)30-26(14-22-16-29-25-9-5-4-8-24(22)25)27(32)33-17-19-10-12-20(13-11-19)23-7-3-2-6-21(23)15-28/h2-13,16,26,29H,14,17H2,1H3,(H,30,31)/t26-/m0/s1