3-[[4-[3,4-bis(oxidanylidene)-2-pyrrolidin-1-yl-cyclobuten-1-yl]piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[[4-[3,4-bis(oxidanylidene)-2-pyrrolidin-1-yl-cyclobuten-1-yl]piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-[3,4-dioxo-2-(1-pyrrolidinyl)-1-cyclobutenyl]-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[[4-(3,4-diketo-2-pyrrolidino-cyclobuten-1-yl)piperazino]methyl]-2-phenyl-cinchoninic acid Formula: C29H28N4O4 MolecularWeight: 496.55702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=O)C2=O)N3CCN(CC3)CC4=C(C5=CC=CC=C5N=C4C6=CC=CC=C6)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=C(C(=O)C2=O)N3CCN(CC3)CC4=C(C5=CC=CC=C5N=C4C6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C29H28N4O4/c34-27-25(32-12-6-7-13-32)26(28(27)35)33-16-14-31(15-17-33)18-21-23(29(36)37)20-10-4-5-11-22(20)30-24(21)19-8-2-1-3-9-19/h1-5,8-11H,6-7,12-18H2,(H,36,37)