5-[3,5-bis(oxidanylidene)piperazin-1-yl]pentyl 2-azanyl-3-(4-phenylmethoxyphenyl)propanoate

Systemtic Name: 5-[3,5-bis(oxidanylidene)piperazin-1-yl]pentyl 2-azanyl-3-(4-phenylmethoxyphenyl)propanoate Openeye Name: 5-(3,5-dioxopiperazin-1-yl)pentyl 2-amino-3-(4-benzyloxyphenyl)propanoate CAS Name: 2-amino-3-(4-phenylmethoxyphenyl)propanoic acid 5-(3,5-dioxo-1-piperazinyl)pentyl ester IUPAC Name: 5-(3,5-dioxopiperazin-1-yl)pentyl 2-amino-3-(4-phenylmethoxyphenyl)propanoate Traditional Name: 2-amino-3-(4-benzoxyphenyl)propionic acid 5-(3,5-diketopiperazino)pentyl ester Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC(=O)CN1CCCCCOC(=O)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)N

Isomeric SMILES

C1C(=O)NC(=O)CN1CCCCCOC(=O)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)N

InChI

InChI=1S/C25H31N3O5/c26-22(15-19-9-11-21(12-10-19)33-18-20-7-3-1-4-8-20)25(31)32-14-6-2-5-13-28-16-23(29)27-24(30)17-28/h1,3-4,7-12,22H,2,5-6,13-18,26H2,(H,27,29,30)