ethyl 3-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]propanoate

Systemtic Name: ethyl 3-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]propanoate Openeye Name: ethyl 3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]acetyl]amino]propanoate CAS Name: 3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]-1-oxoethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoate Traditional Name: 3-[[2-[3-(4-amidinophenyl)-2-isoxazolin-5-yl]acetyl]amino]propionic acid ethyl ester Formula: C17H22N4O4 MolecularWeight: 346.38098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)CC1CC(=NO1)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)CCNC(=O)CC1CC(=NO1)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C17H22N4O4/c1-2-24-16(23)7-8-20-15(22)10-13-9-14(21-25-13)11-3-5-12(6-4-11)17(18)19/h3-6,13H,2,7-10H2,1H3,(H3,18,19)(H,20,22)