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

Systemtic Name: methyl 3-[[5-(4-chlorophenyl)furan-2-yl]carbonylamino]-4-(4-ethanoylpiperazin-1-yl)benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H24ClN3O5 MolecularWeight: 481.92816

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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=C(C=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=C(C=C4)Cl

InChI

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