O1-methyl O3-(4-phenylmethoxyphenyl) 2-[1-(aminocarbonylamino)-3-oxidanylidene-3-(pentylamino)propyl]-2-phenoxy-propanedioate

Systemtic Name: O1-methyl O3-(4-phenylmethoxyphenyl) 2-[1-(aminocarbonylamino)-3-oxidanylidene-3-(pentylamino)propyl]-2-phenoxy-propanedioate Openeye Name: O1-(4-benzyloxyphenyl) O3-methyl 2-[3-oxo-3-(pentylamino)-1-ureido-propyl]-2-phenoxy-propanedioate CAS Name: 2-[1-(carbamoylamino)-3-oxo-3-(pentylamino)propyl]-2-phenoxypropanedioic acid O1-methyl ester O3-(4-phenylmethoxyphenyl) ester IUPAC Name: 1-O-methyl 3-O-(4-phenylmethoxyphenyl) 2-[1-(carbamoylamino)-3-oxo-3-(pentylamino)propyl]-2-phenoxypropanedioate Traditional Name: 2-[3-(amylamino)-3-keto-1-ureido-propyl]-2-phenoxy-malonic acid O1-(4-benzoxyphenyl) ester O3-methyl ester Formula: C32H37N3O8 MolecularWeight: 591.65148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CC(C(C(=O)OC)(C(=O)OC1=CC=C(C=C1)OCC2=CC=CC=C2)OC3=CC=CC=C3)NC(=O)N

Isomeric SMILES

CCCCCNC(=O)CC(C(C(=O)OC)(C(=O)OC1=CC=C(C=C1)OCC2=CC=CC=C2)OC3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C32H37N3O8/c1-3-4-11-20-34-28(36)21-27(35-31(33)39)32(29(37)40-2,43-26-14-9-6-10-15-26)30(38)42-25-18-16-24(17-19-25)41-22-23-12-7-5-8-13-23/h5-10,12-19,27H,3-4,11,20-22H2,1-2H3,(H,34,36)(H3,33,35,39)