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

Systemtic Name: 3-[2,5-bis(oxidanylidene)-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]-4-methyl-benzoic acid Openeye Name: 3-[2,5-dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]-4-methyl-benzoic acid CAS Name: 3-[2,5-dioxo-3-(4-phenyl-1-piperazinyl)-1-pyrrolidinyl]-4-methylbenzoic acid IUPAC Name: 3-[2,5-dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]-4-methylbenzoic acid Traditional Name: 3-[2,5-diketo-3-(4-phenylpiperazino)pyrrolidino]-4-methyl-benzoic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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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)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O4/c1-15-7-8-16(22(28)29)13-18(15)25-20(26)14-19(21(25)27)24-11-9-23(10-12-24)17-5-3-2-4-6-17/h2-8,13,19H,9-12,14H2,1H3,(H,28,29)