[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl] 2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid [2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: 2-(2-furoylamino)-3-methyl-butyric acid [2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl] ester Formula: C23H29N3O6 MolecularWeight: 443.49286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC)NC(=O)C3=CC=CO3

InChI

InChI=1S/C23H29N3O6/c1-16(2)21(24-22(28)19-5-4-14-31-19)23(29)32-15-20(27)26-12-10-25(11-13-26)17-6-8-18(30-3)9-7-17/h4-9,14,16,21H,10-13,15H2,1-3H3,(H,24,28)