[(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: [(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoate Openeye Name: [(1R)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 4-(4-acetylpiperazin-1-yl)-4-oxo-butanoate CAS Name: 4-(4-acetyl-1-piperazinyl)-4-oxobutanoic acid [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(4-acetylpiperazin-1-yl)-4-oxobutanoate Traditional Name: 4-(4-acetylpiperazino)-4-keto-butyric acid [(1R)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)CCC(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

C[C@H](C(=O)C1=CNC2=CC=CC=C21)OC(=O)CCC(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H25N3O5/c1-14(21(28)17-13-22-18-6-4-3-5-16(17)18)29-20(27)8-7-19(26)24-11-9-23(10-12-24)15(2)25/h3-6,13-14,22H,7-12H2,1-2H3/t14-/m1/s1