1-[2-[4-(4-carbamimidoylphenyl)phenoxy]ethanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[4-(4-carbamimidoylphenyl)phenoxy]ethanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[4-(4-carbamimidoylphenyl)phenoxy]acetyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[4-(4-carbamimidoylphenyl)phenoxy]-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[4-(4-carbamimidoylphenyl)phenoxy]acetyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[4-(4-amidinophenyl)phenoxy]acetyl]nipecotic acid Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C21H23N3O4/c22-20(23)16-5-3-14(4-6-16)15-7-9-18(10-8-15)28-13-19(25)24-11-1-2-17(12-24)21(26)27/h3-10,17H,1-2,11-13H2,(H3,22,23)(H,26,27)