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

Systemtic Name: (E)-3-[4-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]-3-methyl-phenyl]prop-2-enoate Openeye Name: (E)-3-[4-[3-(1-adamantyl)-4-benzyloxy-phenyl]-3-methyl-phenyl]prop-2-enoate CAS Name: (E)-3-[4-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-3-methylphenyl]-2-propenoate IUPAC Name: (E)-3-[4-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-3-methylphenyl]prop-2-enoate Traditional Name: (E)-3-[4-[3-(1-adamantyl)-4-benzoxy-phenyl]-3-methyl-phenyl]acrylate Formula: C33H33O3- MolecularWeight: 477.61332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=CC(=O)[O-])C2=CC(=C(C=C2)OCC3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C=CC(=C1)/C=C/C(=O)[O-])C2=CC(=C(C=C2)OCC3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C33H34O3/c1-22-13-23(8-12-32(34)35)7-10-29(22)28-9-11-31(36-21-24-5-3-2-4-6-24)30(17-28)33-18-25-14-26(19-33)16-27(15-25)20-33/h2-13,17,25-27H,14-16,18-21H2,1H3,(H,34,35)/p-1/b12-8+