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

Systemtic Name: 2-[4-[2-(5-imidazol-1-yl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)ethynyl]phenyl]ethanoic acid Openeye Name: 2-[4-[2-(1-imidazol-1-yl-4,4-dimethyl-tetralin-6-yl)ethynyl]phenyl]acetic acid CAS Name: 2-[4-[2-[5-(1-imidazolyl)-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl]ethynyl]phenyl]acetic acid IUPAC Name: 2-[4-[2-(5-imidazol-1-yl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)ethynyl]phenyl]acetic acid Traditional Name: 2-[4-[2-(1-imidazol-1-yl-4,4-dimethyl-tetralin-6-yl)ethynyl]phenyl]acetic acid Formula: C25H24N2O2 MolecularWeight: 384.47026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O2/c1-25(2)12-11-23(27-14-13-26-17-27)21-10-9-19(15-22(21)25)6-3-18-4-7-20(8-5-18)16-24(28)29/h4-5,7-10,13-15,17,23H,11-12,16H2,1-2H3,(H,28,29)