(1S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S)-1-(tert-butoxycarbonylamino)-4-methyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1S)-4-methyl-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S)-1-(tert-butoxycarbonylamino)-4-methyl-cyclohex-3-ene-1-carboxylic acid Formula: C13H21NO4 MolecularWeight: 255.31014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(CC1)(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC[C@@](CC1)(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C13H21NO4/c1-9-5-7-13(8-6-9,10(15)16)14-11(17)18-12(2,3)4/h5H,6-8H2,1-4H3,(H,14,17)(H,15,16)/t13-/m1/s1