methyl (3S,5R)-4-[(2-methyl-2-phenyl-propanoyl)amino]adamantane-1-carboxylate

Systemtic Name: methyl (3S,5R)-4-[(2-methyl-2-phenyl-propanoyl)amino]adamantane-1-carboxylate Openeye Name: methyl (3S,5R)-4-[(2-methyl-2-phenyl-propanoyl)amino]adamantane-1-carboxylate CAS Name: (3S,5R)-4-[(2-methyl-1-oxo-2-phenylpropyl)amino]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl (3S,5R)-4-[(2-methyl-2-phenylpropanoyl)amino]adamantane-1-carboxylate Traditional Name: (3S,5R)-4-[(2-methyl-2-phenyl-propanoyl)amino]adamantane-1-carboxylic acid methyl ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C(=O)NC2C3CC4CC2CC(C4)(C3)C(=O)OC

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C(=O)NC2[C@@H]3CC4C[C@H]2CC(C3)(C4)C(=O)OC

InChI

InChI=1S/C22H29NO3/c1-21(2,17-7-5-4-6-8-17)19(24)23-18-15-9-14-10-16(18)13-22(11-14,12-15)20(25)26-3/h4-8,14-16,18H,9-13H2,1-3H3,(H,23,24)/t14?,15-,16+,18?,22?