2-[4-[2-[4-(1-methoxycyclopropyl)-3-methyl-phenyl]ethynyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-[4-(1-methoxycyclopropyl)-3-methyl-phenyl]ethynyl]phenyl]ethanoic acid Openeye Name: 2-[4-[2-[4-(1-methoxycyclopropyl)-3-methyl-phenyl]ethynyl]phenyl]acetic acid CAS Name: 2-[4-[2-[4-(1-methoxycyclopropyl)-3-methylphenyl]ethynyl]phenyl]acetic acid IUPAC Name: 2-[4-[2-[4-(1-methoxycyclopropyl)-3-methylphenyl]ethynyl]phenyl]acetic acid Traditional Name: 2-[4-[2-[4-(1-methoxycyclopropyl)-3-methyl-phenyl]ethynyl]phenyl]acetic acid Formula: C21H20O3 MolecularWeight: 320.3817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20O3/c1-15-13-17(9-10-19(15)21(24-2)11-12-21)6-3-16-4-7-18(8-5-16)14-20(22)23/h4-5,7-10,13H,11-12,14H2,1-2H3,(H,22,23)