methyl 3-[(2,4-dichlorophenyl)carbonylamino]-4-(4-ethanoylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-[(2,4-dichlorophenyl)carbonylamino]-4-(4-ethanoylpiperazin-1-yl)benzoate Openeye Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[(2,4-dichlorobenzoyl)amino]benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[(2,4-dichlorophenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[(2,4-dichlorobenzoyl)amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-[(2,4-dichlorobenzoyl)amino]benzoic acid methyl ester Formula: C21H21Cl2N3O4 MolecularWeight: 450.31514

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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=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl2N3O4/c1-13(27)25-7-9-26(10-8-25)19-6-3-14(21(29)30-2)11-18(19)24-20(28)16-5-4-15(22)12-17(16)23/h3-6,11-12H,7-10H2,1-2H3,(H,24,28)