(1R,2R,5S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenyl-cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2R,5S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenyl-cyclohexane-1-carboxylic acid Openeye Name: (1R,2R,5S)-2-(tert-butoxycarbonylamino)-5-phenyl-cyclohexanecarboxylic acid CAS Name: (1R,2R,5S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-phenyl-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2R,5S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylcyclohexane-1-carboxylic acid Traditional Name: (1R,2R,5S)-2-(tert-butoxycarbonylamino)-5-phenyl-cyclohexanecarboxylic acid Formula: C18H25NO4 MolecularWeight: 319.3954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCC(CC1C(=O)O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4/c1-18(2,3)23-17(22)19-15-10-9-13(11-14(15)16(20)21)12-7-5-4-6-8-12/h4-8,13-15H,9-11H2,1-3H3,(H,19,22)(H,20,21)/t13-,14+,15+/m0/s1