[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)CCC(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)CCC(=O)N3CCN(CC3)C(=O)C

InChI

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