[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 5-chloranyl-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Systemtic Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 5-chloranyl-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 4-(tert-butoxycarbonylamino)-5-chloro-2-methoxy-benzoate CAS Name: 5-chloro-2-methoxy-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 5-chloro-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 4-(tert-butoxycarbonylamino)-5-chloro-2-methoxy-benzoic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester Formula: C21H29ClN2O5 MolecularWeight: 424.91836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=C(C(=C1)OC)C(=O)OC2CC3CCC(C2)N3C)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=C(C(=C1)OC)C(=O)OC2C[C@H]3CC[C@@H](C2)N3C)Cl

InChI

InChI=1S/C21H29ClN2O5/c1-21(2,3)29-20(26)23-17-11-18(27-5)15(10-16(17)22)19(25)28-14-8-12-6-7-13(9-14)24(12)4/h10-14H,6-9H2,1-5H3,(H,23,26)/t12-,13+,14?