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

Systemtic Name: methyl (E)-3-[4-[5-(1-adamantyl)-2-methyl-4-oxidanyl-phenyl]phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[4-[5-(1-adamantyl)-4-hydroxy-2-methyl-phenyl]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[5-(1-adamantyl)-4-hydroxy-2-methylphenyl]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[5-(1-adamantyl)-4-hydroxy-2-methylphenyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[5-(1-adamantyl)-4-hydroxy-2-methyl-phenyl]phenyl]acrylic acid methyl ester Formula: C27H30O3 MolecularWeight: 402.5253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CC=C(C=C2)C=CC(=O)OC)C34CC5CC(C3)CC(C5)C4)O

Isomeric SMILES

CC1=CC(=C(C=C1C2=CC=C(C=C2)/C=C/C(=O)OC)C34CC5CC(C3)CC(C5)C4)O

InChI

InChI=1S/C27H30O3/c1-17-9-25(28)24(27-14-19-10-20(15-27)12-21(11-19)16-27)13-23(17)22-6-3-18(4-7-22)5-8-26(29)30-2/h3-9,13,19-21,28H,10-12,14-16H2,1-2H3/b8-5+