2-[4-[1-(acetyloxymethoxycarbonyl)piperidin-4-yl]phenoxy]-3-oxidanylidene-2-(2-oxidanylidenepiperazin-1-yl)butanoic acid

Systemtic Name: 2-[4-[1-(acetyloxymethoxycarbonyl)piperidin-4-yl]phenoxy]-3-oxidanylidene-2-(2-oxidanylidenepiperazin-1-yl)butanoic acid Openeye Name: 2-[4-[1-(acetoxymethoxycarbonyl)-4-piperidyl]phenoxy]-3-oxo-2-(2-oxopiperazin-1-yl)butanoic acid CAS Name: 2-[4-[1-[acetyloxymethoxy(oxo)methyl]-4-piperidinyl]phenoxy]-3-oxo-2-(2-oxo-1-piperazinyl)butanoic acid IUPAC Name: 2-[4-[1-(acetyloxymethoxycarbonyl)piperidin-4-yl]phenoxy]-3-oxo-2-(2-oxopiperazin-1-yl)butanoic acid Traditional Name: 2-[4-[1-(acetoxymethoxycarbonyl)-4-piperidyl]phenoxy]-3-keto-2-(2-ketopiperazino)butyric acid Formula: C23H29N3O9 MolecularWeight: 491.49106

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)O)(N1CCNCC1=O)OC2=CC=C(C=C2)C3CCN(CC3)C(=O)OCOC(=O)C

Isomeric SMILES

CC(=O)C(C(=O)O)(N1CCNCC1=O)OC2=CC=C(C=C2)C3CCN(CC3)C(=O)OCOC(=O)C

InChI

InChI=1S/C23H29N3O9/c1-15(27)23(21(30)31,26-12-9-24-13-20(26)29)35-19-5-3-17(4-6-19)18-7-10-25(11-8-18)22(32)34-14-33-16(2)28/h3-6,18,24H,7-14H2,1-2H3,(H,30,31)