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

Systemtic Name: 4-[2-[3-methyl-4-(1-phenylmethoxycyclopropyl)phenyl]ethynyl]benzoic acid Openeye Name: 4-[2-[4-(1-benzyloxycyclopropyl)-3-methyl-phenyl]ethynyl]benzoic acid CAS Name: 4-[2-[3-methyl-4-(1-phenylmethoxycyclopropyl)phenyl]ethynyl]benzoic acid IUPAC Name: 4-[2-[3-methyl-4-(1-phenylmethoxycyclopropyl)phenyl]ethynyl]benzoic acid Traditional Name: 4-[2-[4-(1-benzoxycyclopropyl)-3-methyl-phenyl]ethynyl]benzoic acid Formula: C26H22O3 MolecularWeight: 382.45108

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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)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H22O3/c1-19-17-21(8-7-20-9-12-23(13-10-20)25(27)28)11-14-24(19)26(15-16-26)29-18-22-5-3-2-4-6-22/h2-6,9-14,17H,15-16,18H2,1H3,(H,27,28)