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4-[2-[3-ethyl-4-(1-phenylmethoxycyclopropyl)phenyl]ethynyl]benzoic acid
4-[2-[3-ethyl-4-(1-phenylmethoxycyclopropyl)phenyl]ethynyl]benzoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CCC1=C(C=CC(=C1)C#CC2=CC=C(C=C2)C(=O)O)C3(CC3)OCC4=CC=CC=C4
Isomeric SMILES
CCC1=C(C=CC(=C1)C#CC2=CC=C(C=C2)C(=O)O)C3(CC3)OCC4=CC=CC=C4
InChI
InChI=1S/C27H24O3/c1-2-23-18-21(9-8-20-10-13-24(14-11-20)26(28)29)12-15-25(23)27(16-17-27)30-19-22-6-4-3-5-7-22/h3-7,10-15,18H,2,16-17,19H2,1H3,(H,28,29)
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