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

Systemtic Name: methyl (3R)-2-[2-(1-adamantylcarbonyloxy)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(adamantane-1-carbonyloxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[1-adamantyl(oxo)methoxy]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(adamantane-1-carbonyloxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(adamantane-1-carbonyloxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C24H29NO5 MolecularWeight: 411.49076

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)COC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)COC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H29NO5/c1-29-22(27)20-9-18-4-2-3-5-19(18)13-25(20)21(26)14-30-23(28)24-10-15-6-16(11-24)8-17(7-15)12-24/h2-5,15-17,20H,6-14H2,1H3/t15?,16?,17?,20-,24?/m1/s1