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

Systemtic Name: (E)-3-[3-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]-5-chloranyl-2-ethoxy-phenyl]prop-2-enoate Openeye Name: (E)-3-[3-[3-(1-adamantyl)-4-benzyloxy-phenyl]-5-chloro-2-ethoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[3-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-5-chloro-2-ethoxyphenyl]-2-propenoate IUPAC Name: (E)-3-[3-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-5-chloro-2-ethoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[3-[3-(1-adamantyl)-4-benzoxy-phenyl]-5-chloro-2-ethoxy-phenyl]acrylate Formula: C34H34ClO4- MolecularWeight: 542.08436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5)Cl)C=CC(=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5)Cl)/C=C/C(=O)[O-]

InChI

InChI=1S/C34H35ClO4/c1-2-38-33-27(9-11-32(36)37)15-28(35)17-29(33)26-8-10-31(39-21-22-6-4-3-5-7-22)30(16-26)34-18-23-12-24(19-34)14-25(13-23)20-34/h3-11,15-17,23-25H,2,12-14,18-21H2,1H3,(H,36,37)/p-1/b11-9+