3-[3-(1-imidazol-1-ylbutyl)phenyl]propanoic acid

Systemtic Name: 3-[3-(1-imidazol-1-ylbutyl)phenyl]propanoic acid Openeye Name: 3-[3-(1-imidazol-1-ylbutyl)phenyl]propanoic acid CAS Name: 3-[3-[1-(1-imidazolyl)butyl]phenyl]propanoic acid IUPAC Name: 3-[3-(1-imidazol-1-ylbutyl)phenyl]propanoic acid Traditional Name: 3-[3-(1-imidazol-1-ylbutyl)phenyl]propionic acid Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC(=C1)CCC(=O)O)N2C=CN=C2

Isomeric SMILES

CCCC(C1=CC=CC(=C1)CCC(=O)O)N2C=CN=C2

InChI

InChI=1S/C16H20N2O2/c1-2-4-15(18-10-9-17-12-18)14-6-3-5-13(11-14)7-8-16(19)20/h3,5-6,9-12,15H,2,4,7-8H2,1H3,(H,19,20)