methyl (2S)-2-[[(1S)-1-cyano-2,2-dimethyl-propyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-[[(1S)-1-cyano-2,2-dimethyl-propyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[[(1S)-1-cyano-2,2-dimethyl-propyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[(1S)-1-cyano-2,2-dimethylpropyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(1S)-1-cyano-2,2-dimethylpropyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[[(1S)-1-cyano-2,2-dimethyl-propyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C18H23N3O2 MolecularWeight: 313.39412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O2/c1-18(2,3)16(10-19)21-15(17(22)23-4)9-12-11-20-14-8-6-5-7-13(12)14/h5-8,11,15-16,20-21H,9H2,1-4H3/t15-,16+/m0/s1