tert-butyl 1-[[1-(phenylmethoxycarbonylamino)cycloheptyl]carbonylamino]cycloheptane-1-carboxylate

Systemtic Name: tert-butyl 1-[[1-(phenylmethoxycarbonylamino)cycloheptyl]carbonylamino]cycloheptane-1-carboxylate Openeye Name: tert-butyl 1-[[1-(benzyloxycarbonylamino)cycloheptanecarbonyl]amino]cycloheptanecarboxylate CAS Name: 1-[[oxo-[1-(phenylmethoxycarbonylamino)cycloheptyl]methyl]amino]-1-cycloheptanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[[1-(phenylmethoxycarbonylamino)cycloheptanecarbonyl]amino]cycloheptane-1-carboxylate Traditional Name: 1-[[1-(benzyloxycarbonylamino)cycloheptanecarbonyl]amino]cycloheptanecarboxylic acid tert-butyl ester Formula: C28H42N2O5 MolecularWeight: 486.64348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCCCCC1)NC(=O)C2(CCCCCC2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCCCCC1)NC(=O)C2(CCCCCC2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H42N2O5/c1-26(2,3)35-24(32)28(19-13-6-7-14-20-28)29-23(31)27(17-11-4-5-12-18-27)30-25(33)34-21-22-15-9-8-10-16-22/h8-10,15-16H,4-7,11-14,17-21H2,1-3H3,(H,29,31)(H,30,33)