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

Systemtic Name: ethyl 4-[2-[4,4-dimethyl-2-oxidanylidene-1-(phenylmethyl)-3H-quinolin-6-yl]ethynyl]benzoate Openeye Name: ethyl 4-[2-(1-benzyl-4,4-dimethyl-2-oxo-3H-quinolin-6-yl)ethynyl]benzoate CAS Name: 4-[2-[4,4-dimethyl-2-oxo-1-(phenylmethyl)-3H-quinolin-6-yl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(1-benzyl-4,4-dimethyl-2-oxo-3H-quinolin-6-yl)ethynyl]benzoate Traditional Name: 4-[2-(1-benzyl-2-keto-4,4-dimethyl-3H-quinolin-6-yl)ethynyl]benzoic acid ethyl ester Formula: C29H27NO3 MolecularWeight: 437.52958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)N(C(=O)CC3(C)C)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)N(C(=O)CC3(C)C)CC4=CC=CC=C4

InChI

InChI=1S/C29H27NO3/c1-4-33-28(32)24-15-12-21(13-16-24)10-11-22-14-17-26-25(18-22)29(2,3)19-27(31)30(26)20-23-8-6-5-7-9-23/h5-9,12-18H,4,19-20H2,1-3H3