[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate

Systemtic Name: [2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate Openeye Name: [2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxo-ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridinecarboxylic acid [2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate Traditional Name: 2-pyrrolidinonicotinic acid [2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C20H22BrN3O3 MolecularWeight: 432.31098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)C2=C(N=CC=C2)N3CCCC3

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)Br)NC(=O)COC(=O)C2=C(N=CC=C2)N3CCCC3

InChI

InChI=1S/C20H22BrN3O3/c1-14(15-6-8-16(21)9-7-15)23-18(25)13-27-20(26)17-5-4-10-22-19(17)24-11-2-3-12-24/h4-10,14H,2-3,11-13H2,1H3,(H,23,25)/t14-/m0/s1