6,8-dimethyl-3-oxidanyl-2-(1-phenylcyclopropyl)quinoline-4-carboxylic acid

Systemtic Name: 6,8-dimethyl-3-oxidanyl-2-(1-phenylcyclopropyl)quinoline-4-carboxylic acid Openeye Name: 3-hydroxy-6,8-dimethyl-2-(1-phenylcyclopropyl)quinoline-4-carboxylic acid CAS Name: 3-hydroxy-6,8-dimethyl-2-(1-phenylcyclopropyl)-4-quinolinecarboxylic acid IUPAC Name: 3-hydroxy-6,8-dimethyl-2-(1-phenylcyclopropyl)quinoline-4-carboxylic acid Traditional Name: 3-hydroxy-6,8-dimethyl-2-(1-phenylcyclopropyl)cinchoninic acid Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3(CC3)C4=CC=CC=C4)O)C(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3(CC3)C4=CC=CC=C4)O)C(=O)O)C

InChI

InChI=1S/C21H19NO3/c1-12-10-13(2)17-15(11-12)16(20(24)25)18(23)19(22-17)21(8-9-21)14-6-4-3-5-7-14/h3-7,10-11,23H,8-9H2,1-2H3,(H,24,25)