5-[methyl-[4-(2-oxidanyl-2-phenyl-ethanoyl)phenyl]amino]pentanoic acid

Systemtic Name: 5-[methyl-[4-(2-oxidanyl-2-phenyl-ethanoyl)phenyl]amino]pentanoic acid Openeye Name: 5-[4-(2-hydroxy-2-phenyl-acetyl)-N-methyl-anilino]pentanoic acid CAS Name: 5-[4-(2-hydroxy-1-oxo-2-phenylethyl)-N-methylanilino]pentanoic acid IUPAC Name: 5-[4-(2-hydroxy-2-phenylacetyl)-N-methylanilino]pentanoic acid Traditional Name: 5-(4-mandeloyl-N-methyl-anilino)valeric acid Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCC(=O)O)C1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)O

Isomeric SMILES

CN(CCCCC(=O)O)C1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)O

InChI

InChI=1S/C20H23NO4/c1-21(14-6-5-9-18(22)23)17-12-10-16(11-13-17)20(25)19(24)15-7-3-2-4-8-15/h2-4,7-8,10-13,19,24H,5-6,9,14H2,1H3,(H,22,23)