3-[4-(6-imidazol-1-ylhexylamino)phenyl]propanoic acid

Systemtic Name: 3-[4-(6-imidazol-1-ylhexylamino)phenyl]propanoic acid Openeye Name: 3-[4-(6-imidazol-1-ylhexylamino)phenyl]propanoic acid CAS Name: 3-[4-[6-(1-imidazolyl)hexylamino]phenyl]propanoic acid IUPAC Name: 3-[4-(6-imidazol-1-ylhexylamino)phenyl]propanoic acid Traditional Name: 3-[4-(6-imidazol-1-ylhexylamino)phenyl]propionic acid Formula: C18H25N3O2 MolecularWeight: 315.41

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)NCCCCCCN2C=CN=C2

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)NCCCCCCN2C=CN=C2

InChI

InChI=1S/C18H25N3O2/c22-18(23)10-7-16-5-8-17(9-6-16)20-11-3-1-2-4-13-21-14-12-19-15-21/h5-6,8-9,12,14-15,20H,1-4,7,10-11,13H2,(H,22,23)