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

Systemtic Name: ethyl 4-[2-(4,4-dimethyl-2-methylidene-1-propan-2-yl-3H-quinolin-6-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(1-isopropyl-4,4-dimethyl-2-methylene-3H-quinolin-6-yl)ethynyl]benzoate CAS Name: 4-[2-(4,4-dimethyl-2-methylene-1-propan-2-yl-3H-quinolin-6-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4,4-dimethyl-2-methylidene-1-propan-2-yl-3H-quinolin-6-yl)ethynyl]benzoate Traditional Name: 4-[2-(1-isopropyl-4,4-dimethyl-2-methylene-3H-quinolin-6-yl)ethynyl]benzoic acid ethyl ester Formula: C26H29NO2 MolecularWeight: 387.51396

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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(=C)CC3(C)C)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO2/c1-7-29-25(28)22-13-10-20(11-14-22)8-9-21-12-15-24-23(16-21)26(5,6)17-19(4)27(24)18(2)3/h10-16,18H,4,7,17H2,1-3,5-6H3