2-[2-[4,4-dimethyl-2-oxidanylidene-1-(phenylmethyl)-3H-quinolin-6-yl]ethynyl]benzoate

Systemtic Name: 2-[2-[4,4-dimethyl-2-oxidanylidene-1-(phenylmethyl)-3H-quinolin-6-yl]ethynyl]benzoate Openeye Name: 2-[2-(1-benzyl-4,4-dimethyl-2-oxo-3H-quinolin-6-yl)ethynyl]benzoate CAS Name: 2-[2-[4,4-dimethyl-2-oxo-1-(phenylmethyl)-3H-quinolin-6-yl]ethynyl]benzoate IUPAC Name: 2-[2-(1-benzyl-4,4-dimethyl-2-oxo-3H-quinolin-6-yl)ethynyl]benzoate Traditional Name: 2-[2-(1-benzyl-2-keto-4,4-dimethyl-3H-quinolin-6-yl)ethynyl]benzoate Formula: C27H22NO3- MolecularWeight: 408.46848

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)N(C2=C1C=C(C=C2)C#CC3=CC=CC=C3C(=O)[O-])CC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC(=O)N(C2=C1C=C(C=C2)C#CC3=CC=CC=C3C(=O)[O-])CC4=CC=CC=C4)C

InChI

InChI=1S/C27H23NO3/c1-27(2)17-25(29)28(18-20-8-4-3-5-9-20)24-15-13-19(16-23(24)27)12-14-21-10-6-7-11-22(21)26(30)31/h3-11,13,15-16H,17-18H2,1-2H3,(H,30,31)/p-1