(4-cyanophenyl)methyl 2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: (4-cyanophenyl)methyl 2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: (4-cyanophenyl)methyl 2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: 2-acetamido-3-(1H-indol-3-yl)propanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: 2-acetamido-3-(1H-indol-3-yl)propionic acid (4-cyanobenzyl) ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3/c1-14(25)24-20(10-17-12-23-19-5-3-2-4-18(17)19)21(26)27-13-16-8-6-15(11-22)7-9-16/h2-9,12,20,23H,10,13H2,1H3,(H,24,25)