[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl] 4-(tert-butoxycarbonylamino)benzoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 4-(tert-butoxycarbonylamino)benzoic acid [2-keto-2-[(3S)-3-methylpiperidino]ethyl] ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H28N2O5/c1-14-6-5-11-22(12-14)17(23)13-26-18(24)15-7-9-16(10-8-15)21-19(25)27-20(2,3)4/h7-10,14H,5-6,11-13H2,1-4H3,(H,21,25)/t14-/m0/s1