2-oxidanylidenepropyl 2-(4-cyclohexylphenyl)quinoline-4-carboxylate

Systemtic Name: 2-oxidanylidenepropyl 2-(4-cyclohexylphenyl)quinoline-4-carboxylate Openeye Name: acetonyl 2-(4-cyclohexylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-cyclohexylphenyl)-4-quinolinecarboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 2-(4-cyclohexylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-cyclohexylphenyl)cinchoninic acid acetonyl ester Formula: C25H25NO3 MolecularWeight: 387.4709

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C25H25NO3/c1-17(27)16-29-25(28)22-15-24(26-23-10-6-5-9-21(22)23)20-13-11-19(12-14-20)18-7-3-2-4-8-18/h5-6,9-15,18H,2-4,7-8,16H2,1H3