[2-[[(2S)-heptan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-[[(2S)-heptan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate Openeye Name: [2-[[(1S)-1-methylhexyl]amino]-2-oxo-ethyl] 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid [2-[[(2S)-heptan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-heptan-2-yl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid [2-keto-2-[[(1S)-1-methylhexyl]amino]ethyl] ester Formula: C20H28N2O3 MolecularWeight: 344.44792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)COC(=O)CCC1=CNC2=CC=CC=C21

Isomeric SMILES

CCCCC[C@H](C)NC(=O)COC(=O)CCC1=CNC2=CC=CC=C21

InChI

InChI=1S/C20H28N2O3/c1-3-4-5-8-15(2)22-19(23)14-25-20(24)12-11-16-13-21-18-10-7-6-9-17(16)18/h6-7,9-10,13,15,21H,3-5,8,11-12,14H2,1-2H3,(H,22,23)/t15-/m0/s1