N-[[(5S,7R)-3-acetamido-1-adamantyl]-phenyl-methyl]ethanamide

Systemtic Name: N-[[(5S,7R)-3-acetamido-1-adamantyl]-phenyl-methyl]ethanamide Openeye Name: N-[[(5S,7R)-3-acetamido-1-adamantyl]-phenyl-methyl]acetamide CAS Name: N-[[(5S,7R)-3-acetamido-1-adamantyl]-phenylmethyl]acetamide IUPAC Name: N-[[(5S,7R)-3-acetamido-1-adamantyl]-phenylmethyl]acetamide Traditional Name: N-[[(5S,7R)-3-acetamido-1-adamantyl]-phenyl-methyl]acetamide Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C1=CC=CC=C1)C23CC4CC(C2)CC(C4)(C3)NC(=O)C

Isomeric SMILES

CC(=O)NC(C1=CC=CC=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)NC(=O)C

InChI

InChI=1S/C21H28N2O2/c1-14(24)22-19(18-6-4-3-5-7-18)20-9-16-8-17(10-20)12-21(11-16,13-20)23-15(2)25/h3-7,16-17,19H,8-13H2,1-2H3,(H,22,24)(H,23,25)/t16-,17+,19?,20?,21?