[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 2,5-dimethylfuran-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 2,5-dimethylfuran-3-carboxylate Openeye Name: [2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl] 2,5-dimethylfuran-3-carboxylate CAS Name: 2,5-dimethyl-3-furancarboxylic acid [1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl] ester IUPAC Name: [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate Traditional Name: 2,5-dimethylfuran-3-carboxylic acid [2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O4 MolecularWeight: 370.44214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)OC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)OC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4/c1-15-13-19(16(2)26-15)21(25)27-17(3)20(24)23-11-9-22(10-12-23)14-18-7-5-4-6-8-18/h4-8,13,17H,9-12,14H2,1-3H3