1-cyclopropyl-4-oxidanylidene-7-[4-[(2-oxidanylidene-1,3-dioxol-4-yl)methyl]piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-4-oxidanylidene-7-[4-[(2-oxidanylidene-1,3-dioxol-4-yl)methyl]piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-4-oxo-7-[4-[(2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-4-oxo-7-[4-[(2-oxo-1,3-dioxol-4-yl)methyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-4-oxo-7-[4-[(2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-4-keto-7-[4-[(2-keto-1,3-dioxol-4-yl)methyl]piperazino]quinoline-3-carboxylic acid Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C=C(C=C3)N4CCN(CC4)CC5=COC(=O)O5)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C=C(C=C3)N4CCN(CC4)CC5=COC(=O)O5)C(=O)O

InChI

InChI=1S/C21H21N3O6/c25-19-16-4-3-14(9-18(16)24(13-1-2-13)11-17(19)20(26)27)23-7-5-22(6-8-23)10-15-12-29-21(28)30-15/h3-4,9,11-13H,1-2,5-8,10H2,(H,26,27)