methyl (2S)-2-[[(1S)-1-cyano-2-phenyl-ethyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-[[(1S)-1-cyano-2-phenyl-ethyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[[(1S)-1-cyano-2-phenyl-ethyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[(1S)-1-cyano-2-phenylethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(1S)-1-cyano-2-phenylethyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[[(1S)-1-cyano-2-phenyl-ethyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(CC3=CC=CC=C3)C#N

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)N[C@@H](CC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H21N3O2/c1-26-21(25)20(12-16-14-23-19-10-6-5-9-18(16)19)24-17(13-22)11-15-7-3-2-4-8-15/h2-10,14,17,20,23-24H,11-12H2,1H3/t17-,20-/m0/s1