(E)-3-[4-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]-3,5-dimethyl-phenyl]prop-2-enoate

Systemtic Name: (E)-3-[4-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]-3,5-dimethyl-phenyl]prop-2-enoate Openeye Name: (E)-3-[4-[3-(1-adamantyl)-4-benzyloxy-phenyl]-3,5-dimethyl-phenyl]prop-2-enoate CAS Name: (E)-3-[4-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-3,5-dimethylphenyl]-2-propenoate IUPAC Name: (E)-3-[4-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-3,5-dimethylphenyl]prop-2-enoate Traditional Name: (E)-3-[4-[3-(1-adamantyl)-4-benzoxy-phenyl]-3,5-dimethyl-phenyl]acrylate Formula: C34H35O3- MolecularWeight: 491.6399

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5)C)C=CC(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5)C)/C=C/C(=O)[O-]

InChI

InChI=1S/C34H36O3/c1-22-12-25(8-11-32(35)36)13-23(2)33(22)29-9-10-31(37-21-24-6-4-3-5-7-24)30(17-29)34-18-26-14-27(19-34)16-28(15-26)20-34/h3-13,17,26-28H,14-16,18-21H2,1-2H3,(H,35,36)/p-1/b11-8+