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

Systemtic Name: 3-[3-(4-ethanoylpiperazin-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]-4-methyl-benzoic acid Openeye Name: 3-[3-(4-acetylpiperazin-1-yl)-2,5-dioxo-pyrrolidin-1-yl]-4-methyl-benzoic acid CAS Name: 3-[3-(4-acetyl-1-piperazinyl)-2,5-dioxo-1-pyrrolidinyl]-4-methylbenzoic acid IUPAC Name: 3-[3-(4-acetylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]-4-methylbenzoic acid Traditional Name: 3-[3-(4-acetylpiperazino)-2,5-diketo-pyrrolidino]-4-methyl-benzoic acid Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)N2C(=O)CC(C2=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)N2C(=O)CC(C2=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C18H21N3O5/c1-11-3-4-13(18(25)26)9-14(11)21-16(23)10-15(17(21)24)20-7-5-19(6-8-20)12(2)22/h3-4,9,15H,5-8,10H2,1-2H3,(H,25,26)