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

Systemtic Name: methyl 3-(pentanoylamino)-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-(pentanoylamino)benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-(1-oxopentylamino)benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-(pentanoylamino)benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-(valerylamino)benzoic acid methyl ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4/c1-3-4-10-22(28)25-20-17-19(24(30)31-2)11-12-21(20)26-13-15-27(16-14-26)23(29)18-8-6-5-7-9-18/h5-9,11-12,17H,3-4,10,13-16H2,1-2H3,(H,25,28)