4-[2-[4,4-dimethyl-1-(4-methylphenyl)-2,3-dihydroquinolin-7-yl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[4,4-dimethyl-1-(4-methylphenyl)-2,3-dihydroquinolin-7-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[4,4-dimethyl-1-(p-tolyl)-2,3-dihydroquinolin-7-yl]ethynyl]benzoic acid CAS Name: 4-[2-[4,4-dimethyl-1-(4-methylphenyl)-2,3-dihydroquinolin-7-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[4,4-dimethyl-1-(4-methylphenyl)-2,3-dihydroquinolin-7-yl]ethynyl]benzoic acid Traditional Name: 4-[2-[4,4-dimethyl-1-(p-tolyl)-2,3-dihydroquinolin-7-yl]ethynyl]benzoic acid Formula: C27H25NO2 MolecularWeight: 395.4929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCC(C3=C2C=C(C=C3)C#CC4=CC=C(C=C4)C(=O)O)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2CCC(C3=C2C=C(C=C3)C#CC4=CC=C(C=C4)C(=O)O)(C)C

InChI

InChI=1S/C27H25NO2/c1-19-4-13-23(14-5-19)28-17-16-27(2,3)24-15-10-21(18-25(24)28)7-6-20-8-11-22(12-9-20)26(29)30/h4-5,8-15,18H,16-17H2,1-3H3,(H,29,30)