1-[[3-(4-carbamimidoylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[3-(4-carbamimidoylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[3-(4-carbamimidoylphenyl)-2-oxo-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[3-(4-carbamimidoylphenyl)-2-oxo-5-oxazolidinyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[3-(4-amidinophenyl)-2-keto-oxazolidin-5-yl]methyl]isonipecotic acid Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC2CN(C(=O)O2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCC1C(=O)O)CC2CN(C(=O)O2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C17H22N4O4/c18-15(19)11-1-3-13(4-2-11)21-10-14(25-17(21)24)9-20-7-5-12(6-8-20)16(22)23/h1-4,12,14H,5-10H2,(H3,18,19)(H,22,23)