ethyl 5-(1-adamantylcarbonyloxy)-2-phenyl-benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: ethyl 5-(1-adamantylcarbonyloxy)-2-phenyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 5-(adamantane-1-carbonyloxy)-2-phenyl-benzo[g]benzofuran-3-carboxylate CAS Name: 5-[1-adamantyl(oxo)methoxy]-2-phenyl-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-(adamantane-1-carbonyloxy)-2-phenylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-(adamantane-1-carbonyloxy)-2-phenyl-benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C32H30O5 MolecularWeight: 494.5776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)OC(=O)C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)OC(=O)C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

InChI

InChI=1S/C32H30O5/c1-2-35-30(33)27-25-15-26(36-31(34)32-16-19-12-20(17-32)14-21(13-19)18-32)23-10-6-7-11-24(23)29(25)37-28(27)22-8-4-3-5-9-22/h3-11,15,19-21H,2,12-14,16-18H2,1H3