methyl 4-[4-(phenylcarbonyl)piperazin-1-yl]-3-(propanoylamino)benzoate

Systemtic Name: methyl 4-[4-(phenylcarbonyl)piperazin-1-yl]-3-(propanoylamino)benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-(propanoylamino)benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-(1-oxopropylamino)benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-(propanoylamino)benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-propionamido-benzoic acid methyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4/c1-3-20(26)23-18-15-17(22(28)29-2)9-10-19(18)24-11-13-25(14-12-24)21(27)16-7-5-4-6-8-16/h4-10,15H,3,11-14H2,1-2H3,(H,23,26)