4-[2-(5-imidazol-1-yl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(5-imidazol-1-yl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)ethynyl]benzoic acid Openeye Name: 4-[2-(1-imidazol-1-yl-4,4-dimethyl-tetralin-6-yl)ethynyl]benzoic acid CAS Name: 4-[2-[5-(1-imidazolyl)-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-(5-imidazol-1-yl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)ethynyl]benzoic acid Traditional Name: 4-[2-(1-imidazol-1-yl-4,4-dimethyl-tetralin-6-yl)ethynyl]benzoic acid Formula: C24H22N2O2 MolecularWeight: 370.44368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)N4C=CN=C4)C

Isomeric SMILES

CC1(CCC(C2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)N4C=CN=C4)C

InChI

InChI=1S/C24H22N2O2/c1-24(2)12-11-22(26-14-13-25-16-26)20-10-7-18(15-21(20)24)4-3-17-5-8-19(9-6-17)23(27)28/h5-10,13-16,22H,11-12H2,1-2H3,(H,27,28)