3-[5-(dimethylamino)-3-(imidazol-1-ylmethyl)indol-1-yl]propanoic acid

Systemtic Name: 3-[5-(dimethylamino)-3-(imidazol-1-ylmethyl)indol-1-yl]propanoic acid Openeye Name: 3-[5-(dimethylamino)-3-(imidazol-1-ylmethyl)indol-1-yl]propanoic acid CAS Name: 3-[5-(dimethylamino)-3-(1-imidazolylmethyl)-1-indolyl]propanoic acid IUPAC Name: 3-[5-(dimethylamino)-3-(imidazol-1-ylmethyl)indol-1-yl]propanoic acid Traditional Name: 3-[5-(dimethylamino)-3-(imidazol-1-ylmethyl)indol-1-yl]propionic acid Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)N(C=C2CN3C=CN=C3)CCC(=O)O

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)N(C=C2CN3C=CN=C3)CCC(=O)O

InChI

InChI=1S/C17H20N4O2/c1-19(2)14-3-4-16-15(9-14)13(10-20-8-6-18-12-20)11-21(16)7-5-17(22)23/h3-4,6,8-9,11-12H,5,7,10H2,1-2H3,(H,22,23)