2-[1-[[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]methyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]methyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[[3-(4-amidinophenyl)-2-isoxazolin-5-yl]methyl]-4-piperidyl]acetic acid Formula: C18H24N4O3 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC(=O)O)CC2CC(=NO2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCC1CC(=O)O)CC2CC(=NO2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C18H24N4O3/c19-18(20)14-3-1-13(2-4-14)16-10-15(25-21-16)11-22-7-5-12(6-8-22)9-17(23)24/h1-4,12,15H,5-11H2,(H3,19,20)(H,23,24)