8-butan-2-yl-3-oxidanyl-2-(1-phenylcyclopropyl)quinoline-4-carboxylic acid

Systemtic Name: 8-butan-2-yl-3-oxidanyl-2-(1-phenylcyclopropyl)quinoline-4-carboxylic acid Openeye Name: 3-hydroxy-2-(1-phenylcyclopropyl)-8-sec-butyl-quinoline-4-carboxylic acid CAS Name: 8-butan-2-yl-3-hydroxy-2-(1-phenylcyclopropyl)-4-quinolinecarboxylic acid IUPAC Name: 8-butan-2-yl-3-hydroxy-2-(1-phenylcyclopropyl)quinoline-4-carboxylic acid Traditional Name: 3-hydroxy-2-(1-phenylcyclopropyl)-8-sec-butyl-cinchoninic acid Formula: C23H23NO3 MolecularWeight: 361.43362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC2=C(C(=C(N=C21)C3(CC3)C4=CC=CC=C4)O)C(=O)O

Isomeric SMILES

CCC(C)C1=CC=CC2=C(C(=C(N=C21)C3(CC3)C4=CC=CC=C4)O)C(=O)O

InChI

InChI=1S/C23H23NO3/c1-3-14(2)16-10-7-11-17-18(22(26)27)20(25)21(24-19(16)17)23(12-13-23)15-8-5-4-6-9-15/h4-11,14,25H,3,12-13H2,1-2H3,(H,26,27)