(3-methyl-4-propan-2-yl-phenyl) (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: (3-methyl-4-propan-2-yl-phenyl) (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: (4-isopropyl-3-methyl-phenyl) (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid (3-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-4-propan-2-ylphenyl) (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid (4-isopropyl-3-methyl-phenyl) ester Formula: C21H27ClO2 MolecularWeight: 346.89088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl)C(C)C

InChI

InChI=1S/C21H27ClO2/c1-13(2)18-5-4-17(6-14(18)3)24-19(23)20-8-15-7-16(9-20)11-21(22,10-15)12-20/h4-6,13,15-16H,7-12H2,1-3H3/t15-,16+,20?,21?