3-[3-(3-methoxy-2-methyl-3-oxidanylidene-propyl)-5-(pyridin-3-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[3-(3-methoxy-2-methyl-3-oxidanylidene-propyl)-5-(pyridin-3-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[3-(3-methoxy-2-methyl-3-oxo-propyl)-5-(3-pyridylmethyl)phenyl]propanoic acid CAS Name: 3-[3-(3-methoxy-2-methyl-3-oxopropyl)-5-(3-pyridinylmethyl)phenyl]propanoic acid IUPAC Name: 3-[3-(3-methoxy-2-methyl-3-oxopropyl)-5-(pyridin-3-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[3-(3-keto-3-methoxy-2-methyl-propyl)-5-(3-pyridylmethyl)phenyl]propionic acid Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=CC(=C1)CCC(=O)O)CC2=CN=CC=C2)C(=O)OC

Isomeric SMILES

CC(CC1=CC(=CC(=C1)CCC(=O)O)CC2=CN=CC=C2)C(=O)OC

InChI

InChI=1S/C20H23NO4/c1-14(20(24)25-2)8-17-9-15(5-6-19(22)23)10-18(12-17)11-16-4-3-7-21-13-16/h3-4,7,9-10,12-14H,5-6,8,11H2,1-2H3,(H,22,23)