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

Systemtic Name: 3-[4-[4-(4-carbamimidoylphenyl)-1-phenethyl-imidazol-2-yl]phenyl]propanoic acid Openeye Name: 3-[4-[4-(4-carbamimidoylphenyl)-1-phenethyl-imidazol-2-yl]phenyl]propanoic acid CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)-1-phenethyl-2-imidazolyl]phenyl]propanoic acid IUPAC Name: 3-[4-[4-(4-carbamimidoylphenyl)-1-phenethylimidazol-2-yl]phenyl]propanoic acid Traditional Name: 3-[4-[4-(4-amidinophenyl)-1-phenethyl-imidazol-2-yl]phenyl]propionic acid Formula: C27H26N4O2 MolecularWeight: 438.52094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=C(N=C2C3=CC=C(C=C3)CCC(=O)O)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=C(N=C2C3=CC=C(C=C3)CCC(=O)O)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H26N4O2/c28-26(29)22-13-11-21(12-14-22)24-18-31(17-16-19-4-2-1-3-5-19)27(30-24)23-9-6-20(7-10-23)8-15-25(32)33/h1-7,9-14,18H,8,15-17H2,(H3,28,29)(H,32,33)