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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)N2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)N2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4/c1-16(20(26)23-19-10-8-18(9-11-19)22(28)29-2)24-12-14-25(15-13-24)21(27)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,23,26)