4-[(E)-2-[4-(1-adamantyl)-3-methoxy-phenyl]prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-[4-(1-adamantyl)-3-methoxy-phenyl]prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-[4-(1-adamantyl)-3-methoxy-phenyl]prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-[4-(1-adamantyl)-3-methoxyphenyl]prop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-[4-(1-adamantyl)-3-methoxyphenyl]prop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-[4-(1-adamantyl)-3-methoxy-phenyl]prop-1-enyl]benzoic acid Formula: C27H30O3 MolecularWeight: 402.5253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30O3/c1-17(9-18-3-5-22(6-4-18)26(28)29)23-7-8-24(25(13-23)30-2)27-14-19-10-20(15-27)12-21(11-19)16-27/h3-9,13,19-21H,10-12,14-16H2,1-2H3,(H,28,29)/b17-9+