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

Systemtic Name: 5-[3,5-bis(oxidanylidene)piperazin-1-yl]pentyl 3-(4-acetyloxyphenyl)-2-azanyl-propanoate Openeye Name: 5-(3,5-dioxopiperazin-1-yl)pentyl 3-(4-acetoxyphenyl)-2-amino-propanoate CAS Name: 3-(4-acetyloxyphenyl)-2-aminopropanoic acid 5-(3,5-dioxo-1-piperazinyl)pentyl ester IUPAC Name: 5-(3,5-dioxopiperazin-1-yl)pentyl 3-(4-acetyloxyphenyl)-2-aminopropanoate Traditional Name: 3-(4-acetoxyphenyl)-2-amino-propionic acid 5-(3,5-diketopiperazino)pentyl ester Formula: C20H27N3O6 MolecularWeight: 405.44488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)CC(C(=O)OCCCCCN2CC(=O)NC(=O)C2)N

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)CC(C(=O)OCCCCCN2CC(=O)NC(=O)C2)N

InChI

InChI=1S/C20H27N3O6/c1-14(24)29-16-7-5-15(6-8-16)11-17(21)20(27)28-10-4-2-3-9-23-12-18(25)22-19(26)13-23/h5-8,17H,2-4,9-13,21H2,1H3,(H,22,25,26)