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

Systemtic Name: [2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-butylbenzoate Openeye Name: [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxo-ethyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [2-[4-(4-ethyl-1-piperazinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [2-[4-(4-ethylpiperazino)anilino]-2-keto-ethyl] ester Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC

InChI

InChI=1S/C25H33N3O3/c1-3-5-6-20-7-9-21(10-8-20)25(30)31-19-24(29)26-22-11-13-23(14-12-22)28-17-15-27(4-2)16-18-28/h7-14H,3-6,15-19H2,1-2H3,(H,26,29)