(4-aminocarbonylphenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: (4-aminocarbonylphenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: (4-carbamoylphenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid (4-carbamoylphenyl)methyl ester IUPAC Name: (4-carbamoylphenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid (4-carbamoylbenzyl) ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)OCC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C21H26N2O4/c1-13(24)23-21-9-15-6-16(10-21)8-20(7-15,12-21)19(26)27-11-14-2-4-17(5-3-14)18(22)25/h2-5,15-16H,6-12H2,1H3,(H2,22,25)(H,23,24)/t15-,16+,20?,21?