(3-methyl-5-phenyl-1-adamantyl)methyl (E)-3-phenylprop-2-enoate

Systemtic Name: (3-methyl-5-phenyl-1-adamantyl)methyl (E)-3-phenylprop-2-enoate Openeye Name: (3-methyl-5-phenyl-1-adamantyl)methyl (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid (3-methyl-5-phenyl-1-adamantyl)methyl ester IUPAC Name: (3-methyl-5-phenyl-1-adamantyl)methyl (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid (3-methyl-5-phenyl-1-adamantyl)methyl ester Formula: C27H30O2 MolecularWeight: 386.5259

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)C4=CC=CC=C4)COC(=O)C=CC5=CC=CC=C5

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)C4=CC=CC=C4)COC(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C27H30O2/c1-25-14-22-15-26(17-25,19-27(16-22,18-25)23-10-6-3-7-11-23)20-29-24(28)13-12-21-8-4-2-5-9-21/h2-13,22H,14-20H2,1H3/b13-12+