3-[1-[(1-methylimidazol-2-yl)methyl]indol-3-yl]propanoic acid

Systemtic Name: 3-[1-[(1-methylimidazol-2-yl)methyl]indol-3-yl]propanoic acid Openeye Name: 3-[1-[(1-methylimidazol-2-yl)methyl]indol-3-yl]propanoic acid CAS Name: 3-[1-[(1-methyl-2-imidazolyl)methyl]-3-indolyl]propanoic acid IUPAC Name: 3-[1-[(1-methylimidazol-2-yl)methyl]indol-3-yl]propanoic acid Traditional Name: 3-[1-[(1-methylimidazol-2-yl)methyl]indol-3-yl]propionic acid Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2C=C(C3=CC=CC=C32)CCC(=O)O

Isomeric SMILES

CN1C=CN=C1CN2C=C(C3=CC=CC=C32)CCC(=O)O

InChI

InChI=1S/C16H17N3O2/c1-18-9-8-17-15(18)11-19-10-12(6-7-16(20)21)13-4-2-3-5-14(13)19/h2-5,8-10H,6-7,11H2,1H3,(H,20,21)