[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C19H21BrClNO3 MolecularWeight: 426.73194

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)OCC(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C19H21BrClNO3/c20-14-2-1-3-15(5-14)22-16(23)10-25-17(24)18-6-12-4-13(7-18)9-19(21,8-12)11-18/h1-3,5,12-13H,4,6-11H2,(H,22,23)/t12-,13+,18?,19?