ethyl 4-[2-[4-[2-(furan-2-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-[2-(furan-2-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-[2-(2-furyl)-2-oxo-ethyl]piperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[2-(2-furanyl)-2-oxoethyl]-1-piperazinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-[2-(furan-2-yl)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-[2-(2-furyl)-2-keto-ethyl]piperazino]acetyl]amino]benzoic acid ethyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)C3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)C3=CC=CO3

InChI

InChI=1S/C21H25N3O5/c1-2-28-21(27)16-5-7-17(8-6-16)22-20(26)15-24-11-9-23(10-12-24)14-18(25)19-4-3-13-29-19/h3-8,13H,2,9-12,14-15H2,1H3,(H,22,26)