(5-methyl-2-propan-2-yl-cyclohexyl) (E)-3-azanylbut-2-enoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) (E)-3-azanylbut-2-enoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) (E)-3-aminobut-2-enoate CAS Name: (E)-3-amino-2-butenoic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) (E)-3-aminobut-2-enoate Traditional Name: (E)-3-aminobut-2-enoic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C14H25NO2 MolecularWeight: 239.3538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C=C(C)N)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)/C=C(\C)/N)C(C)C

InChI

InChI=1S/C14H25NO2/c1-9(2)12-6-5-10(3)7-13(12)17-14(16)8-11(4)15/h8-10,12-13H,5-7,15H2,1-4H3/b11-8+