3-(3-carbamimidoylphenyl)-5-(piperidin-4-yloxymethyl)benzoic acid

Systemtic Name: 3-(3-carbamimidoylphenyl)-5-(piperidin-4-yloxymethyl)benzoic acid Openeye Name: 3-(3-carbamimidoylphenyl)-5-(4-piperidyloxymethyl)benzoic acid CAS Name: 3-(3-carbamimidoylphenyl)-5-(4-piperidinyloxymethyl)benzoic acid IUPAC Name: 3-(3-carbamimidoylphenyl)-5-(piperidin-4-yloxymethyl)benzoic acid Traditional Name: 3-(3-amidinophenyl)-5-(4-piperidyloxymethyl)benzoic acid Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1OCC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N

Isomeric SMILES

C1CNCCC1OCC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N

InChI

InChI=1S/C20H23N3O3/c21-19(22)15-3-1-2-14(10-15)16-8-13(9-17(11-16)20(24)25)12-26-18-4-6-23-7-5-18/h1-3,8-11,18,23H,4-7,12H2,(H3,21,22)(H,24,25)