4-[[1-(3-methylbutanoyloxy)butoxycarbonylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[1-(3-methylbutanoyloxy)butoxycarbonylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[1-(3-methylbutanoyloxy)butoxycarbonylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[1-(3-methyl-1-oxobutoxy)butoxy-oxomethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[1-(3-methylbutanoyloxy)butoxycarbonylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[(1-isovaleryloxybutoxycarbonylamino)methyl]cyclohexanecarboxylic acid Formula: C18H31NO6 MolecularWeight: 357.44184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(OC(=O)CC(C)C)OC(=O)NCC1CCC(CC1)C(=O)O

Isomeric SMILES

CCCC(OC(=O)CC(C)C)OC(=O)NCC1CCC(CC1)C(=O)O

InChI

InChI=1S/C18H31NO6/c1-4-5-16(24-15(20)10-12(2)3)25-18(23)19-11-13-6-8-14(9-7-13)17(21)22/h12-14,16H,4-11H2,1-3H3,(H,19,23)(H,21,22)