(E)-3-[3-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]-4-methoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]-4-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-[3-(1-adamantyl)-4-benzyloxy-phenyl]-4-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-4-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-4-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[3-(1-adamantyl)-4-benzoxy-phenyl]-4-methoxy-phenyl]acrylic acid Formula: C33H34O4 MolecularWeight: 494.62066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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