tert-butyl N-[3-(1-methoxy-4-oxidanylidene-cyclohexyl)phenyl]carbamate; ethane-1,2-diol

Systemtic Name: tert-butyl N-[3-(1-methoxy-4-oxidanylidene-cyclohexyl)phenyl]carbamate; ethane-1,2-diol Openeye Name: tert-butyl N-[3-(1-methoxy-4-oxo-cyclohexyl)phenyl]carbamate; ethylene glycol CAS Name: ethane-1,2-diol; N-[3-(1-methoxy-4-oxocyclohexyl)phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(1-methoxy-4-oxocyclohexyl)phenyl]carbamate; ethane-1,2-diol Traditional Name: ethylene glycol; N-[3-(4-keto-1-methoxy-cyclohexyl)phenyl]carbamic acid tert-butyl ester Formula: C20H31NO6 MolecularWeight: 381.46324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C2(CCC(=O)CC2)OC.C(CO)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C2(CCC(=O)CC2)OC.C(CO)O

InChI

InChI=1S/C18H25NO4.C2H6O2/c1-17(2,3)23-16(21)19-14-7-5-6-13(12-14)18(22-4)10-8-15(20)9-11-18;3-1-2-4/h5-7,12H,8-11H2,1-4H3,(H,19,21);3-4H,1-2H2