3-cyanopropyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: 3-cyanopropyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: 3-cyanopropyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid 3-cyanopropyl ester Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OCCCC#N

InChI

InChI=1S/C17H19N3O3/c1-12(21)20-16(17(22)23-9-5-4-8-18)10-13-11-19-15-7-3-2-6-14(13)15/h2-3,6-7,11,16,19H,4-5,9-10H2,1H3,(H,20,21)/t16-/m0/s1