2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-(4-phenylmethoxycarbonyloxyphenyl)ethanoic acid

Systemtic Name: 2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-(4-phenylmethoxycarbonyloxyphenyl)ethanoic acid Openeye Name: 2-(4-benzyloxycarbonyloxyphenyl)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]acetic acid CAS Name: 2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-2-(4-phenylmethoxycarbonyloxyphenyl)acetic acid IUPAC Name: 2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-phenylmethoxycarbonyloxyphenyl)acetic acid Traditional Name: 2-(4-carbobenzoxyoxyphenyl)-2-[(4-ethyl-2,3-diketo-piperazine-1-carbonyl)amino]acetic acid Formula: C23H23N3O8 MolecularWeight: 469.44402

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)OC(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)OC(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H23N3O8/c1-2-25-12-13-26(20(28)19(25)27)22(31)24-18(21(29)30)16-8-10-17(11-9-16)34-23(32)33-14-15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3,(H,24,31)(H,29,30)