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

Systemtic Name: methyl (E)-3-[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]-3-chloranyl-phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[4-[3-(1-adamantyl)-4-hydroxy-phenyl]-3-chloro-phenyl]prop-2-enoate CAS Name: (E)-3-[4-[3-(1-adamantyl)-4-hydroxyphenyl]-3-chlorophenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[3-(1-adamantyl)-4-hydroxyphenyl]-3-chlorophenyl]prop-2-enoate Traditional Name: (E)-3-[4-[3-(1-adamantyl)-4-hydroxy-phenyl]-3-chloro-phenyl]acrylic acid methyl ester Formula: C26H27ClO3 MolecularWeight: 422.94378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClO3/c1-30-25(29)7-3-16-2-5-21(23(27)11-16)20-4-6-24(28)22(12-20)26-13-17-8-18(14-26)10-19(9-17)15-26/h2-7,11-12,17-19,28H,8-10,13-15H2,1H3/b7-3+