1-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxidanylidene-piperidine-4-carboxylic acid

Systemtic Name: 1-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxidanylidene-piperidine-4-carboxylic acid Openeye Name: 1-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-piperidine-4-carboxylic acid CAS Name: 1-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-4-piperidinecarboxylic acid IUPAC Name: 1-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxopiperidine-4-carboxylic acid Traditional Name: 1-[[4-(4-amidinophenyl)phenoxy]methyl]-2-keto-isonipecotic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CC1C(=O)O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(C(=O)CC1C(=O)O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H21N3O4/c21-19(22)15-3-1-13(2-4-15)14-5-7-17(8-6-14)27-12-23-10-9-16(20(25)26)11-18(23)24/h1-8,16H,9-12H2,(H3,21,22)(H,25,26)