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

Systemtic Name: ethyl 4-oxidanylidene-4-[[4-(4-pentanoylpiperazin-1-yl)phenyl]amino]butanoate Openeye Name: ethyl 4-oxo-4-[4-(4-pentanoylpiperazin-1-yl)anilino]butanoate CAS Name: 4-oxo-4-[4-[4-(1-oxopentyl)-1-piperazinyl]anilino]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[4-(4-pentanoylpiperazin-1-yl)anilino]butanoate Traditional Name: 4-keto-4-[4-(4-valerylpiperazino)anilino]butyric acid ethyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O4/c1-3-5-6-20(26)24-15-13-23(14-16-24)18-9-7-17(8-10-18)22-19(25)11-12-21(27)28-4-2/h7-10H,3-6,11-16H2,1-2H3,(H,22,25)