4-[2-[3-methyl-4-(1-propan-2-yloxycyclopropyl)phenyl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[3-methyl-4-(1-propan-2-yloxycyclopropyl)phenyl]ethynyl]benzoic acid Openeye Name: 4-[2-[4-(1-isopropoxycyclopropyl)-3-methyl-phenyl]ethynyl]benzoic acid CAS Name: 4-[2-[3-methyl-4-(1-propan-2-yloxycyclopropyl)phenyl]ethynyl]benzoic acid IUPAC Name: 4-[2-[3-methyl-4-(1-propan-2-yloxycyclopropyl)phenyl]ethynyl]benzoic acid Traditional Name: 4-[2-[4-(1-isopropoxycyclopropyl)-3-methyl-phenyl]ethynyl]benzoic acid Formula: C22H22O3 MolecularWeight: 334.40828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CC2=CC=C(C=C2)C(=O)O)C3(CC3)OC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C#CC2=CC=C(C=C2)C(=O)O)C3(CC3)OC(C)C

InChI

InChI=1S/C22H22O3/c1-15(2)25-22(12-13-22)20-11-8-18(14-16(20)3)5-4-17-6-9-19(10-7-17)21(23)24/h6-11,14-15H,12-13H2,1-3H3,(H,23,24)