4-[2-[4-(1-ethoxycyclopropyl)-3-propan-2-yl-phenyl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[4-(1-ethoxycyclopropyl)-3-propan-2-yl-phenyl]ethynyl]benzoic acid Openeye Name: 4-[2-[4-(1-ethoxycyclopropyl)-3-isopropyl-phenyl]ethynyl]benzoic acid CAS Name: 4-[2-[4-(1-ethoxycyclopropyl)-3-propan-2-ylphenyl]ethynyl]benzoic acid IUPAC Name: 4-[2-[4-(1-ethoxycyclopropyl)-3-propan-2-ylphenyl]ethynyl]benzoic acid Traditional Name: 4-[2-[4-(1-ethoxycyclopropyl)-3-isopropyl-phenyl]ethynyl]benzoic acid Formula: C23H24O3 MolecularWeight: 348.43486

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H24O3/c1-4-26-23(13-14-23)21-12-9-18(15-20(21)16(2)3)6-5-17-7-10-19(11-8-17)22(24)25/h7-12,15-16H,4,13-14H2,1-3H3,(H,24,25)