methyl (3R)-2-[2-[2-(1-adamantyl)ethanoyloxy]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-[2-(1-adamantyl)ethanoyloxy]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-[2-(1-adamantyl)acetyl]oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[2-(1-adamantyl)-1-oxoethoxy]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-[2-(1-adamantyl)acetyl]oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-[2-(1-adamantyl)acetyl]oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)COC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)COC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H31NO5/c1-30-24(29)21-9-19-4-2-3-5-20(19)14-26(21)22(27)15-31-23(28)13-25-10-16-6-17(11-25)8-18(7-16)12-25/h2-5,16-18,21H,6-15H2,1H3/t16?,17?,18?,21-,25?/m1/s1