3-[4-(4-carbamimidoylphenyl)-2-piperidin-1-yl-imidazol-4-yl]propanoic acid

Systemtic Name: 3-[4-(4-carbamimidoylphenyl)-2-piperidin-1-yl-imidazol-4-yl]propanoic acid Openeye Name: 3-[4-(4-carbamimidoylphenyl)-2-(1-piperidyl)imidazol-4-yl]propanoic acid CAS Name: 3-[4-(4-carbamimidoylphenyl)-2-(1-piperidinyl)-4-imidazolyl]propanoic acid IUPAC Name: 3-[4-(4-carbamimidoylphenyl)-2-piperidin-1-ylimidazol-4-yl]propanoic acid Traditional Name: 3-[4-(4-amidinophenyl)-2-piperidino-imidazol-4-yl]propionic acid Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(C=N2)(CCC(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CCN(CC1)C2=NC(C=N2)(CCC(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C18H23N5O2/c19-16(20)13-4-6-14(7-5-13)18(9-8-15(24)25)12-21-17(22-18)23-10-2-1-3-11-23/h4-7,12H,1-3,8-11H2,(H3,19,20)(H,24,25)