4-[2-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid Openeye Name: 4-[2-(1-isopropyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid CAS Name: 4-[2-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid IUPAC Name: 4-[2-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid Traditional Name: 4-[2-(1-isopropyl-4,4-dimethyl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid Formula: C23H25NO2 MolecularWeight: 347.4501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)(C)C

Isomeric SMILES

CC(C)N1CCC(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)(C)C

InChI

InChI=1S/C23H25NO2/c1-16(2)24-14-13-23(3,4)20-15-18(9-12-21(20)24)6-5-17-7-10-19(11-8-17)22(25)26/h7-12,15-16H,13-14H2,1-4H3,(H,25,26)