(4-propan-2-ylphenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: (4-propan-2-ylphenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: (4-isopropylphenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid (4-isopropylbenzyl) ester Formula: C23H31NO3 MolecularWeight: 369.49714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO3/c1-15(2)20-6-4-17(5-7-20)13-27-21(26)22-9-18-8-19(10-22)12-23(11-18,14-22)24-16(3)25/h4-7,15,18-19H,8-14H2,1-3H3,(H,24,25)/t18-,19+,22?,23?