[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-phenyl-cyclohexyl] benzoate

Systemtic Name: [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-phenyl-cyclohexyl] benzoate Openeye Name: [4-[(tert-butoxycarbonylamino)methyl]-4-phenyl-cyclohexyl] benzoate CAS Name: benzoic acid [4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-4-phenylcyclohexyl] ester IUPAC Name: [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-phenylcyclohexyl] benzoate Traditional Name: benzoic acid [4-[(tert-butoxycarbonylamino)methyl]-4-phenyl-cyclohexyl] ester Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1(CCC(CC1)OC(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCC1(CCC(CC1)OC(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H31NO4/c1-24(2,3)30-23(28)26-18-25(20-12-8-5-9-13-20)16-14-21(15-17-25)29-22(27)19-10-6-4-7-11-19/h4-13,21H,14-18H2,1-3H3,(H,26,28)