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

Systemtic Name: ethyl 3-(hexanoylamino)-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-(hexanoylamino)benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-(1-oxohexylamino)benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-(hexanoylamino)benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-(caproylamino)benzoic acid ethyl ester Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O4/c1-3-5-7-12-24(30)27-22-19-21(26(32)33-4-2)13-14-23(22)28-15-17-29(18-16-28)25(31)20-10-8-6-9-11-20/h6,8-11,13-14,19H,3-5,7,12,15-18H2,1-2H3,(H,27,30)