[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C21H26BrNO3 MolecularWeight: 420.34004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)Br)NC(=O)COC(=O)C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C21H26BrNO3/c1-12(15-2-4-18(22)5-3-15)23-19(24)11-26-21(25)20-16-7-13-6-14(9-16)10-17(20)8-13/h2-5,12-14,16-17,20H,6-11H2,1H3,(H,23,24)/t12-,13?,14?,16?,17?,20?/m1/s1