3-(1H-imidazol-5-yl)-3-[6-oxidanylhexyl-[(2-phenyl-1H-imidazol-5-yl)methyl]amino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-3-[6-oxidanylhexyl-[(2-phenyl-1H-imidazol-5-yl)methyl]amino]propanoic acid Openeye Name: 3-[6-hydroxyhexyl-[(2-phenyl-1H-imidazol-5-yl)methyl]amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 3-[6-hydroxyhexyl-[(2-phenyl-1H-imidazol-5-yl)methyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 3-[6-hydroxyhexyl-[(2-phenyl-1H-imidazol-5-yl)methyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 3-[6-hydroxyhexyl-[(2-phenyl-1H-imidazol-5-yl)methyl]amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=C(N2)CN(CCCCCCO)C(CC(=O)O)C3=CN=CN3

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=C(N2)CN(CCCCCCO)C(CC(=O)O)C3=CN=CN3

InChI

InChI=1S/C22H29N5O3/c28-11-7-2-1-6-10-27(20(12-21(29)30)19-14-23-16-25-19)15-18-13-24-22(26-18)17-8-4-3-5-9-17/h3-5,8-9,13-14,16,20,28H,1-2,6-7,10-12,15H2,(H,23,25)(H,24,26)(H,29,30)