1,3-benzodioxol-5-ylmethyl (5S,7R)-3-bromanyladamantane-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)OCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C19H21BrO4/c20-19-7-13-3-14(8-19)6-18(5-13,10-19)17(21)22-9-12-1-2-15-16(4-12)24-11-23-15/h1-2,4,13-14H,3,5-11H2/t13-,14+,18?,19?