[(1R,4S,6R)-4-acetyloxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohept-2-en-1-yl] benzoate

Systemtic Name: [(1R,4S,6R)-4-acetyloxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohept-2-en-1-yl] benzoate Openeye Name: [(1R,4S,6R)-4-acetoxy-6-(tert-butoxycarbonylamino)cyclohept-2-en-1-yl] benzoate CAS Name: benzoic acid [(1R,4S,6R)-4-acetyloxy-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-cyclohept-2-enyl] ester IUPAC Name: [(1R,4S,6R)-4-acetyloxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohept-2-en-1-yl] benzoate Traditional Name: benzoic acid [(1R,4S,6R)-4-acetoxy-6-(tert-butoxycarbonylamino)cyclohept-2-en-1-yl] ester Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(CC(C=C1)OC(=O)C2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO6/c1-14(23)26-17-10-11-18(27-19(24)15-8-6-5-7-9-15)13-16(12-17)22-20(25)28-21(2,3)4/h5-11,16-18H,12-13H2,1-4H3,(H,22,25)/t16-,17-,18+/m1/s1