2-[[5-(3-methoxy-3-oxidanylidene-propyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[5-(3-methoxy-3-oxidanylidene-propyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-hydroxy-5-(3-methoxy-3-oxo-propyl)-2-methyl-4-pyridyl]methylamino]-3-phenyl-propanoic acid CAS Name: 2-[[3-hydroxy-5-(3-methoxy-3-oxopropyl)-2-methyl-4-pyridinyl]methylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-hydroxy-5-(3-methoxy-3-oxopropyl)-2-methylpyridin-4-yl]methylamino]-3-phenylpropanoic acid Traditional Name: 2-[[3-hydroxy-5-(3-keto-3-methoxy-propyl)-2-methyl-4-pyridyl]methylamino]-3-phenyl-propionic acid Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNC(CC2=CC=CC=C2)C(=O)O)CCC(=O)OC

Isomeric SMILES

CC1=NC=C(C(=C1O)CNC(CC2=CC=CC=C2)C(=O)O)CCC(=O)OC

InChI

InChI=1S/C20H24N2O5/c1-13-19(24)16(15(11-21-13)8-9-18(23)27-2)12-22-17(20(25)26)10-14-6-4-3-5-7-14/h3-7,11,17,22,24H,8-10,12H2,1-2H3,(H,25,26)