methyl 4-[[2-[4-(phenylcarbonyl)piperazin-1-yl]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[4-(phenylcarbonyl)piperazin-1-yl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(4-benzoylpiperazin-1-yl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(4-benzoyl-1-piperazinyl)-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-benzoylpiperazin-1-yl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(4-benzoylpiperazino)acetyl]amino]methyl]benzoic acid methyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4/c1-29-22(28)19-9-7-17(8-10-19)15-23-20(26)16-24-11-13-25(14-12-24)21(27)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,23,26)