[2-[(3S)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-(furan-2-ylcarbonylamino)benzoate

Systemtic Name: [2-[(3S)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-(furan-2-ylcarbonylamino)benzoate Openeye Name: [2-[(3S)-3-carbamoyl-1-piperidyl]-2-oxo-ethyl] 4-(furan-2-carbonylamino)benzoate CAS Name: 4-[[2-furanyl(oxo)methyl]amino]benzoic acid [2-[(3S)-3-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate Traditional Name: 4-(2-furoylamino)benzoic acid [2-[(3S)-3-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3)C(=O)N

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3)C(=O)N

InChI

InChI=1S/C20H21N3O6/c21-18(25)14-3-1-9-23(11-14)17(24)12-29-20(27)13-5-7-15(8-6-13)22-19(26)16-4-2-10-28-16/h2,4-8,10,14H,1,3,9,11-12H2,(H2,21,25)(H,22,26)/t14-/m0/s1