ethyl 3-[[5-(4-chlorophenyl)furan-2-yl]carbonylamino]-4-(4-ethanoylpiperazin-1-yl)benzoate

Systemtic Name: ethyl 3-[[5-(4-chlorophenyl)furan-2-yl]carbonylamino]-4-(4-ethanoylpiperazin-1-yl)benzoate Openeye Name: ethyl 4-(4-acetylpiperazin-1-yl)-3-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[[5-(4-chlorophenyl)-2-furanyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-acetylpiperazin-1-yl)-3-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-[[5-(4-chlorophenyl)-2-furoyl]amino]benzoic acid ethyl ester Formula: C26H26ClN3O5 MolecularWeight: 495.95474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H26ClN3O5/c1-3-34-26(33)19-6-9-22(30-14-12-29(13-15-30)17(2)31)21(16-19)28-25(32)24-11-10-23(35-24)18-4-7-20(27)8-5-18/h4-11,16H,3,12-15H2,1-2H3,(H,28,32)