(5R,7S)-3-(phenylmethyl)adamantane-1-carboxylate

Systemtic Name: (5R,7S)-3-(phenylmethyl)adamantane-1-carboxylate Openeye Name: (5R,7S)-3-benzyladamantane-1-carboxylate CAS Name: (5R,7S)-3-(phenylmethyl)-1-adamantanecarboxylate IUPAC Name: (5R,7S)-3-benzyladamantane-1-carboxylate Traditional Name: (5R,7S)-3-benzyladamantane-1-carboxylate Formula: C18H21O2- MolecularWeight: 269.35814

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)C(=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C18H22O2/c19-16(20)18-10-14-6-15(11-18)9-17(8-14,12-18)7-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H,19,20)/p-1/t14-,15+,17?,18?