3-[4-[4-[4-(1-azanylethyl)phenyl]-1-methyl-imidazol-2-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[4-[4-(1-azanylethyl)phenyl]-1-methyl-imidazol-2-yl]phenyl]propanoic acid Openeye Name: 3-[4-[4-[4-(1-aminoethyl)phenyl]-1-methyl-imidazol-2-yl]phenyl]propanoic acid CAS Name: 3-[4-[4-[4-(1-aminoethyl)phenyl]-1-methyl-2-imidazolyl]phenyl]propanoic acid IUPAC Name: 3-[4-[4-[4-(1-aminoethyl)phenyl]-1-methylimidazol-2-yl]phenyl]propanoic acid Traditional Name: 3-[4-[4-[4-(1-aminoethyl)phenyl]-1-methyl-imidazol-2-yl]phenyl]propionic acid Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2=CN(C(=N2)C3=CC=C(C=C3)CCC(=O)O)C)N

Isomeric SMILES

CC(C1=CC=C(C=C1)C2=CN(C(=N2)C3=CC=C(C=C3)CCC(=O)O)C)N

InChI

InChI=1S/C21H23N3O2/c1-14(22)16-8-10-17(11-9-16)19-13-24(2)21(23-19)18-6-3-15(4-7-18)5-12-20(25)26/h3-4,6-11,13-14H,5,12,22H2,1-2H3,(H,25,26)