2-[2-hydroxyethyl(phenyl)amino]-4-methyl-3-oxidanyl-pentanoic acid

Systemtic Name: 2-[2-hydroxyethyl(phenyl)amino]-4-methyl-3-oxidanyl-pentanoic acid Openeye Name: 3-hydroxy-2-[N-(2-hydroxyethyl)anilino]-4-methyl-pentanoic acid CAS Name: 3-hydroxy-2-[N-(2-hydroxyethyl)anilino]-4-methylpentanoic acid IUPAC Name: 3-hydroxy-2-[N-(2-hydroxyethyl)anilino]-4-methylpentanoic acid Traditional Name: 3-hydroxy-2-[N-(2-hydroxyethyl)anilino]-4-methyl-valeric acid Formula: C14H21NO4 MolecularWeight: 267.32084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C(=O)O)N(CCO)C1=CC=CC=C1)O

Isomeric SMILES

CC(C)C(C(C(=O)O)N(CCO)C1=CC=CC=C1)O

InChI

InChI=1S/C14H21NO4/c1-10(2)13(17)12(14(18)19)15(8-9-16)11-6-4-3-5-7-11/h3-7,10,12-13,16-17H,8-9H2,1-2H3,(H,18,19)