methyl (2S)-2-[[4-cyano-1-(phenylmethyl)piperidin-4-yl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-[[4-cyano-1-(phenylmethyl)piperidin-4-yl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[(1-benzyl-4-cyano-4-piperidyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[4-cyano-1-(phenylmethyl)-4-piperidinyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(1-benzyl-4-cyanopiperidin-4-yl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[(1-benzyl-4-cyano-4-piperidyl)amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC3(CCN(CC3)CC4=CC=CC=C4)C#N

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC3(CCN(CC3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C25H28N4O2/c1-31-24(30)23(15-20-16-27-22-10-6-5-9-21(20)22)28-25(18-26)11-13-29(14-12-25)17-19-7-3-2-4-8-19/h2-10,16,23,27-28H,11-15,17H2,1H3/t23-/m0/s1