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

Systemtic Name: (E)-3-[5-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]-2-methoxy-phenyl]prop-2-enoate Openeye Name: (E)-3-[5-[3-(1-adamantyl)-4-benzyloxy-phenyl]-2-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[5-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-2-methoxyphenyl]-2-propenoate IUPAC Name: (E)-3-[5-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-2-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[5-[3-(1-adamantyl)-4-benzoxy-phenyl]-2-methoxy-phenyl]acrylate Formula: C33H33O4- MolecularWeight: 493.61272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=C(C=C2)OCC3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5)C=CC(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=C(C=C2)OCC3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5)/C=C/C(=O)[O-]

InChI

InChI=1S/C33H34O4/c1-36-30-10-7-26(16-28(30)9-12-32(34)35)27-8-11-31(37-21-22-5-3-2-4-6-22)29(17-27)33-18-23-13-24(19-33)15-25(14-23)20-33/h2-12,16-17,23-25H,13-15,18-21H2,1H3,(H,34,35)/p-1/b12-9+