[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C23H29ClO3 MolecularWeight: 388.92756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClO3/c1-21(2,3)18-6-4-17(5-7-18)19(25)13-27-20(26)22-9-15-8-16(10-22)12-23(24,11-15)14-22/h4-7,15-16H,8-14H2,1-3H3/t15-,16+,22?,23?