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

Systemtic Name: ethyl 4-[[4-(4-octanoylpiperazin-1-yl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-(4-octanoylpiperazin-1-yl)anilino]-4-oxo-butanoate CAS Name: 4-oxo-4-[4-[4-(1-oxooctyl)-1-piperazinyl]anilino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-octanoylpiperazin-1-yl)anilino]-4-oxobutanoate Traditional Name: 4-[4-(4-caprylylpiperazino)anilino]-4-keto-butyric acid ethyl ester Formula: C24H37N3O4 MolecularWeight: 431.56828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H37N3O4/c1-3-5-6-7-8-9-23(29)27-18-16-26(17-19-27)21-12-10-20(11-13-21)25-22(28)14-15-24(30)31-4-2/h10-13H,3-9,14-19H2,1-2H3,(H,25,28)