[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] (2S)-2-(furan-2-ylcarbonylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] (2S)-2-(furan-2-ylcarbonylamino)propanoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)propanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]propanoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate Traditional Name: (2S)-2-(2-furoylamino)propionic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCN(CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N1CCN(CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H25N3O5/c1-16(22-20(26)18-8-5-13-28-18)21(27)29-15-19(25)24-11-9-23(10-12-24)14-17-6-3-2-4-7-17/h2-8,13,16H,9-12,14-15H2,1H3,(H,22,26)/t16-/m0/s1