2-[4-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-6-chloranyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-6-chloranyl-quinoline-4-carboxylic acid Openeye Name: 6-chloro-2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylic acid CAS Name: 6-chloro-2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-chloro-2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylic acid Traditional Name: 6-chloro-2-[4-(1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]cinchoninic acid Formula: C24H19ClN2O4 MolecularWeight: 434.87166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5)Cl)C(=C4)C(=O)O

Isomeric SMILES

C1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5)Cl)C(=C4)C(=O)O

InChI

InChI=1S/C24H19ClN2O4/c25-14-7-10-20-18(11-14)19(24(30)31)12-21(26-20)13-5-8-15(9-6-13)27-22(28)16-3-1-2-4-17(16)23(27)29/h5-12,16-17H,1-4H2,(H,30,31)