1-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[3-(4-amidinophenyl)-2-isoxazolin-5-yl]acetyl]isonipecotic acid Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CC2CC(=NO2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CC2CC(=NO2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C18H22N4O4/c19-17(20)12-3-1-11(2-4-12)15-9-14(26-21-15)10-16(23)22-7-5-13(6-8-22)18(24)25/h1-4,13-14H,5-10H2,(H3,19,20)(H,24,25)