methyl 4-chloranyl-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]benzoate

Systemtic Name: methyl 4-chloranyl-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]benzoate Openeye Name: methyl 3-[4-(tert-butoxycarbonylamino)-1-piperidyl]-4-chloro-benzoate CAS Name: 4-chloro-3-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]benzoate Traditional Name: 3-[4-(tert-butoxycarbonylamino)piperidino]-4-chloro-benzoic acid methyl ester Formula: C18H25ClN2O4 MolecularWeight: 368.8551

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(CC1)C2=C(C=CC(=C2)C(=O)OC)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(CC1)C2=C(C=CC(=C2)C(=O)OC)Cl

InChI

InChI=1S/C18H25ClN2O4/c1-18(2,3)25-17(23)20-13-7-9-21(10-8-13)15-11-12(16(22)24-4)5-6-14(15)19/h5-6,11,13H,7-10H2,1-4H3,(H,20,23)