(3,4-dichlorophenyl)methyl 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate

Systemtic Name: (3,4-dichlorophenyl)methyl 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate Openeye Name: (3,4-dichlorophenyl)methyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid (3,4-dichlorophenyl)methyl ester IUPAC Name: (3,4-dichlorophenyl)methyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid (3,4-dichlorobenzyl) ester Formula: C19H22Cl2O3 MolecularWeight: 369.28218

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)CC(=O)OCC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)CC(=O)OCC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C19H22Cl2O3/c20-15-2-1-12(4-16(15)21)10-24-17(22)9-18-5-13-3-14(6-18)8-19(23,7-13)11-18/h1-2,4,13-14,23H,3,5-11H2/t13-,14+,18?,19?