2-(1-adamantylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(1-adamantylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(adamantane-1-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[1-adamantyl(oxo)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(adamantane-1-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(adamantane-1-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)N4CC5=CC=CC=C5CC4C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)N4CC5=CC=CC=C5CC4C(=O)O

InChI

InChI=1S/C21H25NO3/c23-19(24)18-8-16-3-1-2-4-17(16)12-22(18)20(25)21-9-13-5-14(10-21)7-15(6-13)11-21/h1-4,13-15,18H,5-12H2,(H,23,24)