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

Systemtic Name: methyl 3-(hexanoylamino)-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-(hexanoylamino)benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-(1-oxohexylamino)benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-(hexanoylamino)benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-(caproylamino)benzoic acid methyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O4/c1-3-4-6-11-23(29)26-21-18-20(25(31)32-2)12-13-22(21)27-14-16-28(17-15-27)24(30)19-9-7-5-8-10-19/h5,7-10,12-13,18H,3-4,6,11,14-17H2,1-2H3,(H,26,29)