1-(2-methyl-4-oxidanylidene-4-phenyl-butanoyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid

Systemtic Name: 1-(2-methyl-4-oxidanylidene-4-phenyl-butanoyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid Openeye Name: 1-(2-methyl-4-oxo-4-phenyl-butanoyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid CAS Name: 1-(2-methyl-1,4-dioxo-4-phenylbutyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid IUPAC Name: 1-(2-methyl-4-oxo-4-phenylbutanoyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid Traditional Name: 1-(4-keto-2-methyl-4-phenyl-butanoyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid Formula: C21H21NO4 MolecularWeight: 351.39574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=CC=C1)C(=O)N2C(CCC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC(CC(=O)C1=CC=CC=C1)C(=O)N2C(CCC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C21H21NO4/c1-14(13-19(23)16-8-3-2-4-9-16)20(24)22-17-10-6-5-7-15(17)11-12-18(22)21(25)26/h2-10,14,18H,11-13H2,1H3,(H,25,26)