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

Systemtic Name: methyl 3-[[5-(3-chlorophenyl)furan-2-yl]carbonylamino]-4-(4-ethanoylpiperazin-1-yl)benzoate Openeye Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[[5-(3-chlorophenyl)-2-furanyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-[[5-(3-chlorophenyl)-2-furoyl]amino]benzoic acid methyl ester Formula: C25H24ClN3O5 MolecularWeight: 481.92816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H24ClN3O5/c1-16(30)28-10-12-29(13-11-28)21-7-6-18(25(32)33-2)15-20(21)27-24(31)23-9-8-22(34-23)17-4-3-5-19(26)14-17/h3-9,14-15H,10-13H2,1-2H3,(H,27,31)