3-[3-(imidazol-1-ylmethyl)-1-(3-methoxy-3-oxidanylidene-propyl)-2-methyl-indol-4-yl]propanoic acid

Systemtic Name: 3-[3-(imidazol-1-ylmethyl)-1-(3-methoxy-3-oxidanylidene-propyl)-2-methyl-indol-4-yl]propanoic acid Openeye Name: 3-[3-(imidazol-1-ylmethyl)-1-(3-methoxy-3-oxo-propyl)-2-methyl-indol-4-yl]propanoic acid CAS Name: 3-[3-(1-imidazolylmethyl)-1-(3-methoxy-3-oxopropyl)-2-methyl-4-indolyl]propanoic acid IUPAC Name: 3-[3-(imidazol-1-ylmethyl)-1-(3-methoxy-3-oxopropyl)-2-methylindol-4-yl]propanoic acid Traditional Name: 3-[3-(imidazol-1-ylmethyl)-1-(3-keto-3-methoxy-propyl)-2-methyl-indol-4-yl]propionic acid Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC=C2N1CCC(=O)OC)CCC(=O)O)CN3C=CN=C3

Isomeric SMILES

CC1=C(C2=C(C=CC=C2N1CCC(=O)OC)CCC(=O)O)CN3C=CN=C3

InChI

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