4-[(Z)-1-[3-(1-adamantyl)-4-methoxy-phenyl]-4,4-dimethoxy-but-1-en-2-yl]benzoic acid

Systemtic Name: 4-[(Z)-1-[3-(1-adamantyl)-4-methoxy-phenyl]-4,4-dimethoxy-but-1-en-2-yl]benzoic acid Openeye Name: 4-[(1Z)-1-[[3-(1-adamantyl)-4-methoxy-phenyl]methylene]-3,3-dimethoxy-propyl]benzoic acid CAS Name: 4-[(Z)-1-[3-(1-adamantyl)-4-methoxyphenyl]-4,4-dimethoxybut-1-en-2-yl]benzoic acid IUPAC Name: 4-[(Z)-1-[3-(1-adamantyl)-4-methoxyphenyl]-4,4-dimethoxybut-1-en-2-yl]benzoic acid Traditional Name: 4-[(Z)-2-[3-(1-adamantyl)-4-methoxy-phenyl]-1-(2,2-dimethoxyethyl)vinyl]benzoic acid Formula: C30H36O5 MolecularWeight: 476.60384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36O5/c1-33-27-9-4-19(14-26(27)30-16-20-10-21(17-30)12-22(11-20)18-30)13-25(15-28(34-2)35-3)23-5-7-24(8-6-23)29(31)32/h4-9,13-14,20-22,28H,10-12,15-18H2,1-3H3,(H,31,32)/b25-13-