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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CC2CC(=NO2)C3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CC2CC(=NO2)C3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C18H22N4O4/c19-17(20)12-5-3-11(4-6-12)15-8-14(26-21-15)9-16(23)22-7-1-2-13(10-22)18(24)25/h3-6,13-14H,1-2,7-10H2,(H3,19,20)(H,24,25)