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

Systemtic Name: ethyl 4-[2-(1-heptyl-4,4-dimethyl-2-oxidanylidene-3H-quinolin-6-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(1-heptyl-4,4-dimethyl-2-oxo-3H-quinolin-6-yl)ethynyl]benzoate CAS Name: 4-[2-(1-heptyl-4,4-dimethyl-2-oxo-3H-quinolin-6-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(1-heptyl-4,4-dimethyl-2-oxo-3H-quinolin-6-yl)ethynyl]benzoate Traditional Name: 4-[2-(1-heptyl-2-keto-4,4-dimethyl-3H-quinolin-6-yl)ethynyl]benzoic acid ethyl ester Formula: C29H35NO3 MolecularWeight: 445.5931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)CC(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)OCC)(C)C

Isomeric SMILES

CCCCCCCN1C(=O)CC(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)OCC)(C)C

InChI

InChI=1S/C29H35NO3/c1-5-7-8-9-10-19-30-26-18-15-23(20-25(26)29(3,4)21-27(30)31)12-11-22-13-16-24(17-14-22)28(32)33-6-2/h13-18,20H,5-10,19,21H2,1-4H3