[(2S)-1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl] 3-(1H-indol-3-yl)propanoate

Systemtic Name: [(2S)-1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl] 3-(1H-indol-3-yl)propanoate Openeye Name: [(1S)-2-(4-ethylpiperazin-1-yl)-1-methyl-2-oxo-ethyl] 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid [(2S)-1-(4-ethyl-1-piperazinyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid [(1S)-2-(4-ethylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)OC(=O)CCC2=CNC3=CC=CC=C32

Isomeric SMILES

CCN1CCN(CC1)C(=O)[C@H](C)OC(=O)CCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C20H27N3O3/c1-3-22-10-12-23(13-11-22)20(25)15(2)26-19(24)9-8-16-14-21-18-7-5-4-6-17(16)18/h4-7,14-15,21H,3,8-13H2,1-2H3/t15-/m0/s1