2-[1-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxidanylidene-piperidin-3-yl]ethanoic acid

Systemtic Name: 2-[1-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxidanylidene-piperidin-3-yl]ethanoic acid Openeye Name: 2-[1-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-3-piperidyl]acetic acid CAS Name: 2-[1-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-3-piperidinyl]acetic acid IUPAC Name: 2-[1-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxopiperidin-3-yl]acetic acid Traditional Name: 2-[1-[[4-(4-amidinophenyl)phenoxy]methyl]-2-keto-3-piperidyl]acetic acid Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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