methyl 3-[2-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[4-[(2,4-dichlorophenyl)-oxomethyl]-1-piperazinyl]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[4-(2,4-dichlorobenzoyl)piperazino]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H23Cl2N3O4 MolecularWeight: 464.34172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H23Cl2N3O4/c1-14-3-4-15(22(30)31-2)11-19(14)25-20(28)13-26-7-9-27(10-8-26)21(29)17-6-5-16(23)12-18(17)24/h3-6,11-12H,7-10,13H2,1-2H3,(H,25,28)