2-[3-(cyclohexylmethylamino)-3-oxidanylidene-propyl]-2-phenoxy-propanedioic acid

Systemtic Name: 2-[3-(cyclohexylmethylamino)-3-oxidanylidene-propyl]-2-phenoxy-propanedioic acid Openeye Name: 2-[3-(cyclohexylmethylamino)-3-oxo-propyl]-2-phenoxy-propanedioic acid CAS Name: 2-[3-(cyclohexylmethylamino)-3-oxopropyl]-2-phenoxypropanedioic acid IUPAC Name: 2-[3-(cyclohexylmethylamino)-3-oxopropyl]-2-phenoxypropanedioic acid Traditional Name: 2-[3-(cyclohexylmethylamino)-3-keto-propyl]-2-phenoxy-malonic acid Formula: C19H25NO6 MolecularWeight: 363.4049

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)CCC(C(=O)O)(C(=O)O)OC2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)CNC(=O)CCC(C(=O)O)(C(=O)O)OC2=CC=CC=C2

InChI

InChI=1S/C19H25NO6/c21-16(20-13-14-7-3-1-4-8-14)11-12-19(17(22)23,18(24)25)26-15-9-5-2-6-10-15/h2,5-6,9-10,14H,1,3-4,7-8,11-13H2,(H,20,21)(H,22,23)(H,24,25)