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

Systemtic Name: methyl (2S)-2-[[(S)-cyano(phenyl)methyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[[(S)-cyano(phenyl)methyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[(S)-cyano(phenyl)methyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(S)-cyano(phenyl)methyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[[(S)-cyano(phenyl)methyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C20H19N3O2 MolecularWeight: 333.38376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O2/c1-25-20(24)18(23-19(12-21)14-7-3-2-4-8-14)11-15-13-22-17-10-6-5-9-16(15)17/h2-10,13,18-19,22-23H,11H2,1H3/t18-,19+/m0/s1