(4-tert-butylphenyl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: (4-tert-butylphenyl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: (4-tert-butylphenyl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid (4-tert-butylbenzyl) ester Formula: C22H29ClO2 MolecularWeight: 360.91746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClO2/c1-20(2,3)18-6-4-15(5-7-18)13-25-19(24)21-9-16-8-17(10-21)12-22(23,11-16)14-21/h4-7,16-17H,8-14H2,1-3H3/t16-,17+,21?,22?