propyl 3-(3-propoxycarbonyl-1-adamantyl)adamantane-1-carboxylate

Systemtic Name: propyl 3-(3-propoxycarbonyl-1-adamantyl)adamantane-1-carboxylate Openeye Name: propyl 3-(3-propoxycarbonyl-1-adamantyl)adamantane-1-carboxylate CAS Name: 3-[3-[oxo(propoxy)methyl]-1-adamantyl]-1-adamantanecarboxylic acid propyl ester IUPAC Name: propyl 3-(3-propoxycarbonyl-1-adamantyl)adamantane-1-carboxylate Traditional Name: 3-(3-propoxycarbonyl-1-adamantyl)adamantane-1-carboxylic acid propyl ester Formula: C28H42O4 MolecularWeight: 442.63068

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C12CC3CC(C1)CC(C3)(C2)C45CC6CC(C4)CC(C6)(C5)C(=O)OCCC

Isomeric SMILES

CCCOC(=O)C12CC3CC(C1)CC(C3)(C2)C45CC6CC(C4)CC(C6)(C5)C(=O)OCCC

InChI

InChI=1S/C28H42O4/c1-3-5-31-23(29)25-9-19-7-20(10-25)14-27(13-19,17-25)28-15-21-8-22(16-28)12-26(11-21,18-28)24(30)32-6-4-2/h19-22H,3-18H2,1-2H3