(Z)-3-[4-[3-(1-adamantyl)-4-methoxy-phenyl]phenyl]-2-bromanyl-prop-2-enoic acid

Systemtic Name: (Z)-3-[4-[3-(1-adamantyl)-4-methoxy-phenyl]phenyl]-2-bromanyl-prop-2-enoic acid Openeye Name: (Z)-3-[4-[3-(1-adamantyl)-4-methoxy-phenyl]phenyl]-2-bromo-prop-2-enoic acid CAS Name: (Z)-3-[4-[3-(1-adamantyl)-4-methoxyphenyl]phenyl]-2-bromo-2-propenoic acid IUPAC Name: (Z)-3-[4-[3-(1-adamantyl)-4-methoxyphenyl]phenyl]-2-bromoprop-2-enoic acid Traditional Name: (Z)-3-[4-[3-(1-adamantyl)-4-methoxy-phenyl]phenyl]-2-bromo-acrylic acid Formula: C26H27BrO3 MolecularWeight: 467.39478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(C=C2)/C=C(/C(=O)O)\Br)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H27BrO3/c1-30-24-7-6-21(20-4-2-16(3-5-20)11-23(27)25(28)29)12-22(24)26-13-17-8-18(14-26)10-19(9-17)15-26/h2-7,11-12,17-19H,8-10,13-15H2,1H3,(H,28,29)/b23-11-