(4-methoxycarbonylphenyl) (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl) (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (4-methoxycarbonylphenyl) (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (4-carbomethoxyphenyl) ester Formula: C19H21BrO4 MolecularWeight: 393.27164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrO4/c1-23-16(21)14-2-4-15(5-3-14)24-17(22)18-7-12-6-13(8-18)10-19(20,9-12)11-18/h2-5,12-13H,6-11H2,1H3/t12-,13+,18?,19?