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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C23H29ClO3/c1-3-15-5-6-18(4-2)19(8-15)20(25)13-27-21(26)22-9-16-7-17(10-22)12-23(24,11-16)14-22/h5-6,8,16-17H,3-4,7,9-14H2,1-2H3/t16-,17+,22?,23?