(2E,4E)-7-[4-(1-adamantyl)-3-methoxy-phenyl]-4-phenyl-hepta-2,4-dienoic acid

Systemtic Name: (2E,4E)-7-[4-(1-adamantyl)-3-methoxy-phenyl]-4-phenyl-hepta-2,4-dienoic acid Openeye Name: (2E,4E)-7-[4-(1-adamantyl)-3-methoxy-phenyl]-4-phenyl-hepta-2,4-dienoic acid CAS Name: (2E,4E)-7-[4-(1-adamantyl)-3-methoxyphenyl]-4-phenylhepta-2,4-dienoic acid IUPAC Name: (2E,4E)-7-[4-(1-adamantyl)-3-methoxyphenyl]-4-phenylhepta-2,4-dienoic acid Traditional Name: (2E,4E)-7-[4-(1-adamantyl)-3-methoxy-phenyl]-4-phenyl-hepta-2,4-dienoic acid Formula: C30H34O3 MolecularWeight: 442.58916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC=C(C=CC(=O)O)C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=CC(=C1)CC/C=C(\C=C\C(=O)O)/C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C30H34O3/c1-33-28-17-21(6-5-9-26(11-13-29(31)32)25-7-3-2-4-8-25)10-12-27(28)30-18-22-14-23(19-30)16-24(15-22)20-30/h2-4,7-13,17,22-24H,5-6,14-16,18-20H2,1H3,(H,31,32)/b13-11+,26-9+