methyl 4-[2-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(2-chlorobenzoyl)piperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(2-chlorobenzoyl)piperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(2-chlorobenzoyl)piperazino]acetyl]amino]benzoic acid methyl ester Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H22ClN3O4/c1-29-21(28)15-6-8-16(9-7-15)23-19(26)14-24-10-12-25(13-11-24)20(27)17-4-2-3-5-18(17)22/h2-9H,10-14H2,1H3,(H,23,26)