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

Systemtic Name: 4-[2-[3-tert-butyl-4-(1-ethoxycyclopropyl)phenyl]ethynyl]benzoic acid Openeye Name: 4-[2-[3-tert-butyl-4-(1-ethoxycyclopropyl)phenyl]ethynyl]benzoic acid CAS Name: 4-[2-[3-tert-butyl-4-(1-ethoxycyclopropyl)phenyl]ethynyl]benzoic acid IUPAC Name: 4-[2-[3-tert-butyl-4-(1-ethoxycyclopropyl)phenyl]ethynyl]benzoic acid Traditional Name: 4-[2-[3-tert-butyl-4-(1-ethoxycyclopropyl)phenyl]ethynyl]benzoic acid Formula: C24H26O3 MolecularWeight: 362.46144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26O3/c1-5-27-24(14-15-24)20-13-10-18(16-21(20)23(2,3)4)7-6-17-8-11-19(12-9-17)22(25)26/h8-13,16H,5,14-15H2,1-4H3,(H,25,26)