1-[2-[4-(4-carbamimidoylphenyl)phenyl]ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[4-(4-carbamimidoylphenyl)phenyl]ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[4-(4-carbamimidoylphenyl)phenyl]ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[4-(4-carbamimidoylphenyl)phenyl]ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[4-(4-carbamimidoylphenyl)phenyl]ethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[4-(4-amidinophenyl)phenyl]ethyl]isonipecotic acid Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CCC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCC1C(=O)O)CCC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H25N3O2/c22-20(23)18-7-5-17(6-8-18)16-3-1-15(2-4-16)9-12-24-13-10-19(11-14-24)21(25)26/h1-8,19H,9-14H2,(H3,22,23)(H,25,26)