(5S,7R)-3-acetamido-N-[(4-methoxyphenyl)methyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-acetamido-N-[(4-methoxyphenyl)methyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-[(4-methoxyphenyl)methyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-[(4-methoxyphenyl)methyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-[(4-methoxyphenyl)methyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-p-anisyl-adamantane-1-carboxamide Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NCC4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)NCC4=CC=C(C=C4)OC

InChI

InChI=1S/C21H28N2O3/c1-14(24)23-21-10-16-7-17(11-21)9-20(8-16,13-21)19(25)22-12-15-3-5-18(26-2)6-4-15/h3-6,16-17H,7-13H2,1-2H3,(H,22,25)(H,23,24)/t16-,17+,20?,21?