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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C(OC(=C1C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C)C

InChI

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