2-[4-[2-[3-tert-butyl-4-(1-ethoxycyclopropyl)phenyl]ethynyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-[3-tert-butyl-4-(1-ethoxycyclopropyl)phenyl]ethynyl]phenyl]ethanoic acid Openeye Name: 2-[4-[2-[3-tert-butyl-4-(1-ethoxycyclopropyl)phenyl]ethynyl]phenyl]acetic acid CAS Name: 2-[4-[2-[3-tert-butyl-4-(1-ethoxycyclopropyl)phenyl]ethynyl]phenyl]acetic acid IUPAC Name: 2-[4-[2-[3-tert-butyl-4-(1-ethoxycyclopropyl)phenyl]ethynyl]phenyl]acetic acid Traditional Name: 2-[4-[2-[3-tert-butyl-4-(1-ethoxycyclopropyl)phenyl]ethynyl]phenyl]acetic acid Formula: C25H28O3 MolecularWeight: 376.48802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(CC1)C2=C(C=C(C=C2)C#CC3=CC=C(C=C3)CC(=O)O)C(C)(C)C

Isomeric SMILES

CCOC1(CC1)C2=C(C=C(C=C2)C#CC3=CC=C(C=C3)CC(=O)O)C(C)(C)C

InChI

InChI=1S/C25H28O3/c1-5-28-25(14-15-25)21-13-12-19(16-22(21)24(2,3)4)9-6-18-7-10-20(11-8-18)17-23(26)27/h7-8,10-13,16H,5,14-15,17H2,1-4H3,(H,26,27)