ethyl 4-[[4-(4-hexanoylpiperazin-1-yl)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[4-(4-hexanoylpiperazin-1-yl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-(4-hexanoylpiperazin-1-yl)anilino]-4-oxo-butanoate CAS Name: 4-oxo-4-[4-[4-(1-oxohexyl)-1-piperazinyl]anilino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-hexanoylpiperazin-1-yl)anilino]-4-oxobutanoate Traditional Name: 4-[4-(4-caproylpiperazino)anilino]-4-keto-butyric acid ethyl ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC(=O)OCC

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC(=O)OCC

InChI

InChI=1S/C22H33N3O4/c1-3-5-6-7-21(27)25-16-14-24(15-17-25)19-10-8-18(9-11-19)23-20(26)12-13-22(28)29-4-2/h8-11H,3-7,12-17H2,1-2H3,(H,23,26)