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

Systemtic Name: (4-chlorophenyl)methyl 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: (4-chlorophenyl)methyl 2-[(5S,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl 2-[(5S,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (4-chlorobenzyl) ester Formula: C19H22BrClO2 MolecularWeight: 397.73378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrClO2/c20-19-8-14-5-15(9-19)7-18(6-14,12-19)10-17(22)23-11-13-1-3-16(21)4-2-13/h1-4,14-15H,5-12H2/t14-,15+,18?,19?