3-[3-(3-ethoxy-3-oxidanylidene-propyl)-5-(imidazol-1-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[3-(3-ethoxy-3-oxidanylidene-propyl)-5-(imidazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[3-(3-ethoxy-3-oxo-propyl)-5-(imidazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[3-(3-ethoxy-3-oxopropyl)-5-(1-imidazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[3-(3-ethoxy-3-oxopropyl)-5-(imidazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[3-(3-ethoxy-3-keto-propyl)-5-(imidazol-1-ylmethyl)phenyl]propionic acid Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=CC(=C1)CCC(=O)O)CN2C=CN=C2

Isomeric SMILES

CCOC(=O)CCC1=CC(=CC(=C1)CCC(=O)O)CN2C=CN=C2

InChI

InChI=1S/C18H22N2O4/c1-2-24-18(23)6-4-15-9-14(3-5-17(21)22)10-16(11-15)12-20-8-7-19-13-20/h7-11,13H,2-6,12H2,1H3,(H,21,22)