3-[3-(4-ethoxycarbonylpiperazin-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid

Systemtic Name: 3-[3-(4-ethoxycarbonylpiperazin-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid Openeye Name: 3-[3-(4-ethoxycarbonylpiperazin-1-yl)-2,5-dioxo-pyrrolidin-1-yl]benzoic acid CAS Name: 3-[3-(4-ethoxycarbonyl-1-piperazinyl)-2,5-dioxo-1-pyrrolidinyl]benzoic acid IUPAC Name: 3-[3-(4-ethoxycarbonylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoic acid Traditional Name: 3-[3-(4-carbethoxypiperazino)-2,5-diketo-pyrrolidino]benzoic acid Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CC(=O)N(C2=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2CC(=O)N(C2=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H21N3O6/c1-2-27-18(26)20-8-6-19(7-9-20)14-11-15(22)21(16(14)23)13-5-3-4-12(10-13)17(24)25/h3-5,10,14H,2,6-9,11H2,1H3,(H,24,25)