O4-[5-[3,5-bis(oxidanylidene)piperazin-1-yl]pentyl] O1-(phenylmethyl) 2-azanylbutanedioate

Systemtic Name: O4-[5-[3,5-bis(oxidanylidene)piperazin-1-yl]pentyl] O1-(phenylmethyl) 2-azanylbutanedioate Openeye Name: O1-benzyl O4-[5-(3,5-dioxopiperazin-1-yl)pentyl] 2-aminobutanedioate CAS Name: 2-aminobutanedioic acid O4-[5-(3,5-dioxo-1-piperazinyl)pentyl] ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 4-O-[5-(3,5-dioxopiperazin-1-yl)pentyl] 2-aminobutanedioate Traditional Name: 2-aminosuccinic acid O1-benzyl ester O4-[5-(3,5-diketopiperazino)pentyl] ester Formula: C20H27N3O6 MolecularWeight: 405.44488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC(=O)CN1CCCCCOC(=O)CC(C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

C1C(=O)NC(=O)CN1CCCCCOC(=O)CC(C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C20H27N3O6/c21-16(20(27)29-14-15-7-3-1-4-8-15)11-19(26)28-10-6-2-5-9-23-12-17(24)22-18(25)13-23/h1,3-4,7-8,16H,2,5-6,9-14,21H2,(H,22,24,25)