(3E,5E)-6-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]-3-ethoxycarbonyl-hexa-3,5-dienoic acid

Systemtic Name: (3E,5E)-6-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]-3-ethoxycarbonyl-hexa-3,5-dienoic acid Openeye Name: (3E,5E)-6-[3-(1-adamantyl)-4-benzyloxy-phenyl]-3-ethoxycarbonyl-hexa-3,5-dienoic acid CAS Name: (3E,5E)-6-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-3-ethoxycarbonylhexa-3,5-dienoic acid IUPAC Name: (3E,5E)-6-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-3-ethoxycarbonylhexa-3,5-dienoic acid Traditional Name: (3E,5E)-6-[3-(1-adamantyl)-4-benzoxy-phenyl]-3-carbethoxy-hexa-3,5-dienoic acid Formula: C32H36O5 MolecularWeight: 500.62524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC=CC1=CC(=C(C=C1)OCC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4)CC(=O)O

Isomeric SMILES

CCOC(=O)/C(=C/C=C/C1=CC(=C(C=C1)OCC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4)/CC(=O)O

InChI

InChI=1S/C32H36O5/c1-2-36-31(35)27(17-30(33)34)10-6-9-22-11-12-29(37-21-23-7-4-3-5-8-23)28(16-22)32-18-24-13-25(19-32)15-26(14-24)20-32/h3-12,16,24-26H,2,13-15,17-21H2,1H3,(H,33,34)/b9-6+,27-10+