3-[3-(imidazol-1-ylmethyl)-2-propan-2-yl-indol-1-yl]propanoic acid

Systemtic Name: 3-[3-(imidazol-1-ylmethyl)-2-propan-2-yl-indol-1-yl]propanoic acid Openeye Name: 3-[3-(imidazol-1-ylmethyl)-2-isopropyl-indol-1-yl]propanoic acid CAS Name: 3-[3-(1-imidazolylmethyl)-2-propan-2-yl-1-indolyl]propanoic acid IUPAC Name: 3-[3-(imidazol-1-ylmethyl)-2-propan-2-ylindol-1-yl]propanoic acid Traditional Name: 3-[3-(imidazol-1-ylmethyl)-2-isopropyl-indol-1-yl]propionic acid Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C2=CC=CC=C2N1CCC(=O)O)CN3C=CN=C3

Isomeric SMILES

CC(C)C1=C(C2=CC=CC=C2N1CCC(=O)O)CN3C=CN=C3

InChI

InChI=1S/C18H21N3O2/c1-13(2)18-15(11-20-10-8-19-12-20)14-5-3-4-6-16(14)21(18)9-7-17(22)23/h3-6,8,10,12-13H,7,9,11H2,1-2H3,(H,22,23)