3-[4-[3-(1-adamantyl)-4-methoxy-phenyl]phenyl]prop-2-ynoic acid

Systemtic Name: 3-[4-[3-(1-adamantyl)-4-methoxy-phenyl]phenyl]prop-2-ynoic acid Openeye Name: 3-[4-[3-(1-adamantyl)-4-methoxy-phenyl]phenyl]prop-2-ynoic acid CAS Name: 3-[4-[3-(1-adamantyl)-4-methoxyphenyl]phenyl]-2-propynoic acid IUPAC Name: 3-[4-[3-(1-adamantyl)-4-methoxyphenyl]phenyl]prop-2-ynoic acid Traditional Name: 3-[4-[3-(1-adamantyl)-4-methoxy-phenyl]phenyl]propiolic acid Formula: C26H26O3 MolecularWeight: 386.48284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=C(C=C2)C#CC(=O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(C=C2)C#CC(=O)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H26O3/c1-29-24-8-7-22(21-5-2-17(3-6-21)4-9-25(27)28)13-23(24)26-14-18-10-19(15-26)12-20(11-18)16-26/h2-3,5-8,13,18-20H,10-12,14-16H2,1H3,(H,27,28)