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

Systemtic Name: 2-[4-[2-[3-methyl-4-(1-phenylmethoxycyclopropyl)phenyl]ethynyl]phenyl]ethanoic acid Openeye Name: 2-[4-[2-[4-(1-benzyloxycyclopropyl)-3-methyl-phenyl]ethynyl]phenyl]acetic acid CAS Name: 2-[4-[2-[3-methyl-4-(1-phenylmethoxycyclopropyl)phenyl]ethynyl]phenyl]acetic acid IUPAC Name: 2-[4-[2-[3-methyl-4-(1-phenylmethoxycyclopropyl)phenyl]ethynyl]phenyl]acetic acid Traditional Name: 2-[4-[2-[4-(1-benzoxycyclopropyl)-3-methyl-phenyl]ethynyl]phenyl]acetic acid Formula: C27H24O3 MolecularWeight: 396.47766

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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)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)C#CC2=CC=C(C=C2)CC(=O)O)C3(CC3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H24O3/c1-20-17-22(10-7-21-8-11-23(12-9-21)18-26(28)29)13-14-25(20)27(15-16-27)30-19-24-5-3-2-4-6-24/h2-6,8-9,11-14,17H,15-16,18-19H2,1H3,(H,28,29)