(5-ethanoyl-2-ethoxy-phenyl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C22H27ClO4 MolecularWeight: 390.90038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C22H27ClO4/c1-3-26-19-5-4-17(14(2)24)7-18(19)12-27-20(25)21-8-15-6-16(9-21)11-22(23,10-15)13-21/h4-5,7,15-16H,3,6,8-13H2,1-2H3/t15-,16+,21?,22?