ethyl 3-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]benzoate Openeye Name: ethyl 3-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]benzoate CAS Name: 3-[[2-[[[(4-fluorophenyl)methylamino]-oxomethyl]amino]-1-oxopentyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]benzoate Traditional Name: 3-[2-[(4-fluorobenzyl)carbamoylamino]pentanoylamino]benzoic acid ethyl ester Formula: C22H26FN3O4 MolecularWeight: 415.457943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1=CC=CC(=C1)C(=O)OCC)NC(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CCCC(C(=O)NC1=CC=CC(=C1)C(=O)OCC)NC(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C22H26FN3O4/c1-3-6-19(26-22(29)24-14-15-9-11-17(23)12-10-15)20(27)25-18-8-5-7-16(13-18)21(28)30-4-2/h5,7-13,19H,3-4,6,14H2,1-2H3,(H,25,27)(H2,24,26,29)