2-(phenylmethoxycarbonylamino)-3-(4-propan-2-ylcyclohexyl)oxycarbonyloxy-propanoic acid

Systemtic Name: 2-(phenylmethoxycarbonylamino)-3-(4-propan-2-ylcyclohexyl)oxycarbonyloxy-propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-(4-isopropylcyclohexoxy)carbonyloxy-propanoic acid CAS Name: 3-[oxo-(4-propan-2-ylcyclohexyl)oxymethoxy]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 2-(phenylmethoxycarbonylamino)-3-(4-propan-2-ylcyclohexyl)oxycarbonyloxypropanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-(4-isopropylcyclohexoxy)carbonyloxy-propionic acid Formula: C21H29NO7 MolecularWeight: 407.45746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC(CC1)OC(=O)OCC(C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C1CCC(CC1)OC(=O)OCC(C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H29NO7/c1-14(2)16-8-10-17(11-9-16)29-21(26)28-13-18(19(23)24)22-20(25)27-12-15-6-4-3-5-7-15/h3-7,14,16-18H,8-13H2,1-2H3,(H,22,25)(H,23,24)