(E)-3-[3-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]phenyl]prop-2-enoate

Systemtic Name: (E)-3-[3-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]phenyl]prop-2-enoate Openeye Name: (E)-3-[3-[3-(1-adamantyl)-4-benzyloxy-phenyl]phenyl]prop-2-enoate CAS Name: (E)-3-[3-[3-(1-adamantyl)-4-phenylmethoxyphenyl]phenyl]-2-propenoate IUPAC Name: (E)-3-[3-[3-(1-adamantyl)-4-phenylmethoxyphenyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[3-[3-(1-adamantyl)-4-benzoxy-phenyl]phenyl]acrylate Formula: C32H31O3- MolecularWeight: 463.58674

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC(=CC=C5)C=CC(=O)[O-])OCC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC(=CC=C5)/C=C/C(=O)[O-])OCC6=CC=CC=C6

InChI

InChI=1S/C32H32O3/c33-31(34)12-9-22-7-4-8-27(16-22)28-10-11-30(35-21-23-5-2-1-3-6-23)29(17-28)32-18-24-13-25(19-32)15-26(14-24)20-32/h1-12,16-17,24-26H,13-15,18-21H2,(H,33,34)/p-1/b12-9+