tert-butyl carbamate; 2-[(4-ethylcyclohexyl)methyl]propanedioic acid

Systemtic Name: tert-butyl carbamate; 2-[(4-ethylcyclohexyl)methyl]propanedioic acid Openeye Name: tert-butyl carbamate; 2-[(4-ethylcyclohexyl)methyl]propanedioic acid CAS Name: carbamic acid tert-butyl ester; 2-[(4-ethylcyclohexyl)methyl]propanedioic acid IUPAC Name: tert-butyl carbamate; 2-[(4-ethylcyclohexyl)methyl]propanedioic acid Traditional Name: carbamic acid tert-butyl ester; 2-[(4-ethylcyclohexyl)methyl]malonic acid Formula: C17H31NO6 MolecularWeight: 345.43114

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1)CC(C(=O)O)C(=O)O.CC(C)(C)OC(=O)N

Isomeric SMILES

CCC1CCC(CC1)CC(C(=O)O)C(=O)O.CC(C)(C)OC(=O)N

InChI

InChI=1S/C12H20O4.C5H11NO2/c1-2-8-3-5-9(6-4-8)7-10(11(13)14)12(15)16;1-5(2,3)8-4(6)7/h8-10H,2-7H2,1H3,(H,13,14)(H,15,16);1-3H3,(H2,6,7)