ethyl 4-oxidanylidene-4-[[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]pentan-2-yl]amino]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]pentan-2-yl]amino]butanoate Openeye Name: ethyl 4-[1-(4-benzylpiperazine-1-carbonyl)butylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]pentan-2-yl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(4-benzylpiperazin-1-yl)-1-oxopentan-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[1-(4-benzylpiperazine-1-carbonyl)butylamino]-4-keto-butyric acid ethyl ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)NC(=O)CCC(=O)OCC

Isomeric SMILES

CCCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)NC(=O)CCC(=O)OCC

InChI

InChI=1S/C22H33N3O4/c1-3-8-19(23-20(26)11-12-21(27)29-4-2)22(28)25-15-13-24(14-16-25)17-18-9-6-5-7-10-18/h5-7,9-10,19H,3-4,8,11-17H2,1-2H3,(H,23,26)