tert-butyl N-[3-(4-carbamimidoylphenyl)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]carbamate ethanoate

Systemtic Name: tert-butyl N-[3-(4-carbamimidoylphenyl)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]carbamate ethanoate Openeye Name: tert-butyl N-[1-[(4-carbamimidoylphenyl)methyl]-2-oxo-2-pyrrolidin-1-yl-ethyl]carbamate acetate CAS Name: N-[3-(4-carbamimidoylphenyl)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]carbamic acid tert-butyl ester acetate IUPAC Name: tert-butyl N-[3-(4-carbamimidoylphenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate acetate Traditional Name: N-[1-(4-amidinobenzyl)-2-keto-2-pyrrolidino-ethyl]carbamic acid tert-butyl ester acetate Formula: C21H31N4O5- MolecularWeight: 419.49464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C(=N)N)C(=O)N2CCCC2

Isomeric SMILES

CC(=O)[O-].CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C(=N)N)C(=O)N2CCCC2

InChI

InChI=1S/C19H28N4O3.C2H4O2/c1-19(2,3)26-18(25)22-15(17(24)23-10-4-5-11-23)12-13-6-8-14(9-7-13)16(20)21;1-2(3)4/h6-9,15H,4-5,10-12H2,1-3H3,(H3,20,21)(H,22,25);1H3,(H,3,4)/p-1