2-[2,5-bis(oxidanylidene)piperazin-1-yl]-3-oxidanylidene-2-(4-piperidin-4-ylphenoxy)butanoic acid

Systemtic Name: 2-[2,5-bis(oxidanylidene)piperazin-1-yl]-3-oxidanylidene-2-(4-piperidin-4-ylphenoxy)butanoic acid Openeye Name: 2-(2,5-dioxopiperazin-1-yl)-3-oxo-2-[4-(4-piperidyl)phenoxy]butanoic acid CAS Name: 2-(2,5-dioxo-1-piperazinyl)-3-oxo-2-[4-(4-piperidinyl)phenoxy]butanoic acid IUPAC Name: 2-(2,5-dioxopiperazin-1-yl)-3-oxo-2-(4-piperidin-4-ylphenoxy)butanoic acid Traditional Name: 2-(2,5-diketopiperazino)-3-keto-2-[4-(4-piperidyl)phenoxy]butyric acid Formula: C19H23N3O6 MolecularWeight: 389.40242

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)O)(N1CC(=O)NCC1=O)OC2=CC=C(C=C2)C3CCNCC3

Isomeric SMILES

CC(=O)C(C(=O)O)(N1CC(=O)NCC1=O)OC2=CC=C(C=C2)C3CCNCC3

InChI

InChI=1S/C19H23N3O6/c1-12(23)19(18(26)27,22-11-16(24)21-10-17(22)25)28-15-4-2-13(3-5-15)14-6-8-20-9-7-14/h2-5,14,20H,6-11H2,1H3,(H,21,24)(H,26,27)