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

Systemtic Name: 3-[3-(4-ethoxycarbonylpiperazin-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]-4-methyl-benzoic acid Openeye Name: 3-[3-(4-ethoxycarbonylpiperazin-1-yl)-2,5-dioxo-pyrrolidin-1-yl]-4-methyl-benzoic acid CAS Name: 3-[3-(4-ethoxycarbonyl-1-piperazinyl)-2,5-dioxo-1-pyrrolidinyl]-4-methylbenzoic acid IUPAC Name: 3-[3-(4-ethoxycarbonylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]-4-methylbenzoic acid Traditional Name: 3-[3-(4-carbethoxypiperazino)-2,5-diketo-pyrrolidino]-4-methyl-benzoic acid Formula: C19H23N3O6 MolecularWeight: 389.40242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O6/c1-3-28-19(27)21-8-6-20(7-9-21)15-11-16(23)22(17(15)24)14-10-13(18(25)26)5-4-12(14)2/h4-5,10,15H,3,6-9,11H2,1-2H3,(H,25,26)