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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Br)NC(=O)COC(=O)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

C[C@H](C1=CC=CC=C1Br)NC(=O)COC(=O)C2C3CC4CC(C3)CC2C4

InChI

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