[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate CAS Name: 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate Traditional Name: 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)C2=CC=C(C=C2)C(=O)OCC(=O)N3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N=C(N1)C2=CC=C(C=C2)C(=O)OCC(=O)N3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H28N4O3/c1-18-19(2)27-24(26-18)21-8-10-22(11-9-21)25(31)32-17-23(30)29-14-12-28(13-15-29)16-20-6-4-3-5-7-20/h3-11H,12-17H2,1-2H3,(H,26,27)