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

Systemtic Name: 1-[2-[4-(4-carbamimidoylphenyl)phenoxy]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[4-(4-carbamimidoylphenyl)phenoxy]acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[4-(4-carbamimidoylphenyl)phenoxy]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[4-(4-carbamimidoylphenyl)phenoxy]acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[4-(4-amidinophenyl)phenoxy]acetyl]isonipecotic acid Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H23N3O4/c22-20(23)16-3-1-14(2-4-16)15-5-7-18(8-6-15)28-13-19(25)24-11-9-17(10-12-24)21(26)27/h1-8,17H,9-13H2,(H3,22,23)(H,26,27)