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

Systemtic Name: 3-[3-(imidazol-1-ylmethyl)-5-methyl-indol-1-yl]propanoic acid Openeye Name: 3-[3-(imidazol-1-ylmethyl)-5-methyl-indol-1-yl]propanoic acid CAS Name: 3-[3-(1-imidazolylmethyl)-5-methyl-1-indolyl]propanoic acid IUPAC Name: 3-[3-(imidazol-1-ylmethyl)-5-methylindol-1-yl]propanoic acid Traditional Name: 3-[3-(imidazol-1-ylmethyl)-5-methyl-indol-1-yl]propionic acid Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C=C2CN3C=CN=C3)CCC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C=C2CN3C=CN=C3)CCC(=O)O

InChI

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