methyl (E)-3-[4-[3-(1-adamantyl)-5-oxidanyl-phenyl]phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-[3-(1-adamantyl)-5-oxidanyl-phenyl]phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[4-[3-(1-adamantyl)-5-hydroxy-phenyl]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[3-(1-adamantyl)-5-hydroxyphenyl]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[3-(1-adamantyl)-5-hydroxyphenyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[3-(1-adamantyl)-5-hydroxy-phenyl]phenyl]acrylic acid methyl ester Formula: C26H28O3 MolecularWeight: 388.49872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC=C(C=C1)C2=CC(=CC(=C2)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)/C=C/C1=CC=C(C=C1)C2=CC(=CC(=C2)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H28O3/c1-29-25(28)7-4-17-2-5-21(6-3-17)22-11-23(13-24(27)12-22)26-14-18-8-19(15-26)10-20(9-18)16-26/h2-7,11-13,18-20,27H,8-10,14-16H2,1H3/b7-4+