phenanthridin-6-ylmethyl (5R,7S)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: phenanthridin-6-ylmethyl (5R,7S)-3-oxidanyladamantane-1-carboxylate Openeye Name: phenanthridin-6-ylmethyl (5R,7S)-3-hydroxyadamantane-1-carboxylate CAS Name: (5R,7S)-3-hydroxy-1-adamantanecarboxylic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl (5R,7S)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5R,7S)-3-hydroxyadamantane-1-carboxylic acid phenanthridin-6-ylmethyl ester Formula: C25H25NO3 MolecularWeight: 387.4709

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=NC5=CC=CC=C5C6=CC=CC=C64

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)OCC4=NC5=CC=CC=C5C6=CC=CC=C64

InChI

InChI=1S/C25H25NO3/c27-23(24-10-16-9-17(11-24)13-25(28,12-16)15-24)29-14-22-20-7-2-1-5-18(20)19-6-3-4-8-21(19)26-22/h1-8,16-17,28H,9-15H2/t16-,17+,24?,25?