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

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C20H24BrNO3 MolecularWeight: 406.31346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C20H24BrNO3/c1-13-3-2-4-16(5-13)22-17(23)11-25-18(24)19-7-14-6-15(8-19)10-20(21,9-14)12-19/h2-5,14-15H,6-12H2,1H3,(H,22,23)/t14-,15+,19?,20?