[1-(1-adamantyl)-2-phenyl-butan-2-yl] (E)-3-phenylprop-2-enoate

Systemtic Name: [1-(1-adamantyl)-2-phenyl-butan-2-yl] (E)-3-phenylprop-2-enoate Openeye Name: [1-(1-adamantylmethyl)-1-phenyl-propyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [1-(1-adamantyl)-2-phenylbutan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-2-phenylbutan-2-yl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [1-(1-adamantylmethyl)-1-phenyl-propyl] ester Formula: C29H34O2 MolecularWeight: 414.57906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34O2/c1-2-29(26-11-7-4-8-12-26,31-27(30)14-13-22-9-5-3-6-10-22)21-28-18-23-15-24(19-28)17-25(16-23)20-28/h3-14,23-25H,2,15-21H2,1H3/b14-13+