3-[3-(imidazol-1-ylmethyl)-1-(3-methoxy-3-oxidanylidene-propyl)-2-methyl-indol-5-yl]propanoic acid

Systemtic Name: 3-[3-(imidazol-1-ylmethyl)-1-(3-methoxy-3-oxidanylidene-propyl)-2-methyl-indol-5-yl]propanoic acid Openeye Name: 3-[3-(imidazol-1-ylmethyl)-1-(3-methoxy-3-oxo-propyl)-2-methyl-indol-5-yl]propanoic acid CAS Name: 3-[3-(1-imidazolylmethyl)-1-(3-methoxy-3-oxopropyl)-2-methyl-5-indolyl]propanoic acid IUPAC Name: 3-[3-(imidazol-1-ylmethyl)-1-(3-methoxy-3-oxopropyl)-2-methylindol-5-yl]propanoic acid Traditional Name: 3-[3-(imidazol-1-ylmethyl)-1-(3-keto-3-methoxy-propyl)-2-methyl-indol-5-yl]propionic acid Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CCC(=O)OC)C=CC(=C2)CCC(=O)O)CN3C=CN=C3

Isomeric SMILES

CC1=C(C2=C(N1CCC(=O)OC)C=CC(=C2)CCC(=O)O)CN3C=CN=C3

InChI

InChI=1S/C20H23N3O4/c1-14-17(12-22-10-8-21-13-22)16-11-15(4-6-19(24)25)3-5-18(16)23(14)9-7-20(26)27-2/h3,5,8,10-11,13H,4,6-7,9,12H2,1-2H3,(H,24,25)