4-[(E)-1-[3-(1-adamantyl)-4-methoxy-phenyl]-4-ethoxy-but-1-en-2-yl]benzoic acid

Systemtic Name: 4-[(E)-1-[3-(1-adamantyl)-4-methoxy-phenyl]-4-ethoxy-but-1-en-2-yl]benzoic acid Openeye Name: 4-[(1E)-1-[[3-(1-adamantyl)-4-methoxy-phenyl]methylene]-3-ethoxy-propyl]benzoic acid CAS Name: 4-[(E)-1-[3-(1-adamantyl)-4-methoxyphenyl]-4-ethoxybut-1-en-2-yl]benzoic acid IUPAC Name: 4-[(E)-1-[3-(1-adamantyl)-4-methoxyphenyl]-4-ethoxybut-1-en-2-yl]benzoic acid Traditional Name: 4-[(E)-2-[3-(1-adamantyl)-4-methoxy-phenyl]-1-(2-ethoxyethyl)vinyl]benzoic acid Formula: C30H36O4 MolecularWeight: 460.60444

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC(=CC1=CC(=C(C=C1)OC)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CCOCC/C(=C\C1=CC(=C(C=C1)OC)C23CC4CC(C2)CC(C4)C3)/C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C30H36O4/c1-3-34-11-10-26(24-5-7-25(8-6-24)29(31)32)15-20-4-9-28(33-2)27(16-20)30-17-21-12-22(18-30)14-23(13-21)19-30/h4-9,15-16,21-23H,3,10-14,17-19H2,1-2H3,(H,31,32)/b26-15+