[4-[2-[4-oxidanylidene-4-(2-piperazin-1-ylethylamino)butanoyl]oxyethanoyl]phenyl] 4-methylbenzoate

Systemtic Name: [4-[2-[4-oxidanylidene-4-(2-piperazin-1-ylethylamino)butanoyl]oxyethanoyl]phenyl] 4-methylbenzoate Openeye Name: [4-[2-[4-oxo-4-(2-piperazin-1-ylethylamino)butanoyl]oxyacetyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[2-[1,4-dioxo-4-[2-(1-piperazinyl)ethylamino]butoxy]-1-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[4-oxo-4-(2-piperazin-1-ylethylamino)butanoyl]oxyacetyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[2-[4-keto-4-(2-piperazinoethylamino)butanoyl]oxyacetyl]phenyl] ester Formula: C26H31N3O6 MolecularWeight: 481.54084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)CCC(=O)NCCN3CCNCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)CCC(=O)NCCN3CCNCC3

InChI

InChI=1S/C26H31N3O6/c1-19-2-4-21(5-3-19)26(33)35-22-8-6-20(7-9-22)23(30)18-34-25(32)11-10-24(31)28-14-17-29-15-12-27-13-16-29/h2-9,27H,10-18H2,1H3,(H,28,31)