(E)-3-[3-[5-(1-adamantyl)-4-methoxy-2-methyl-phenyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[5-(1-adamantyl)-4-methoxy-2-methyl-phenyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-[5-(1-adamantyl)-4-methoxy-2-methyl-phenyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[5-(1-adamantyl)-4-methoxy-2-methylphenyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[5-(1-adamantyl)-4-methoxy-2-methylphenyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[5-(1-adamantyl)-4-methoxy-2-methyl-phenyl]phenyl]acrylic acid Formula: C27H30O3 MolecularWeight: 402.5253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CC(=CC=C2)C=CC(=O)O)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

CC1=CC(=C(C=C1C2=CC(=CC=C2)/C=C/C(=O)O)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C27H30O3/c1-17-8-25(30-2)24(27-14-19-9-20(15-27)11-21(10-19)16-27)13-23(17)22-5-3-4-18(12-22)6-7-26(28)29/h3-8,12-13,19-21H,9-11,14-16H2,1-2H3,(H,28,29)/b7-6+