[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-propoxyphenyl)butanoate

Systemtic Name: [2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-propoxyphenyl)butanoate Openeye Name: [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxo-ethyl] 4-oxo-4-(4-propoxyphenyl)butanoate CAS Name: 4-oxo-4-(4-propoxyphenyl)butanoic acid [2-[4-(4-ethyl-1-piperazinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate Traditional Name: 4-keto-4-(4-propoxyphenyl)butyric acid [2-[4-(4-ethylpiperazino)anilino]-2-keto-ethyl] ester Formula: C27H35N3O5 MolecularWeight: 481.5839

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC

InChI

InChI=1S/C27H35N3O5/c1-3-19-34-24-11-5-21(6-12-24)25(31)13-14-27(33)35-20-26(32)28-22-7-9-23(10-8-22)30-17-15-29(4-2)16-18-30/h5-12H,3-4,13-20H2,1-2H3,(H,28,32)