3-[4-[3-[4-ethyl-2-(N-oxidanyl-C-phenyl-carbonimidoyl)phenoxy]butoxy]-2-methyl-phenyl]propanoic acid

Systemtic Name: 3-[4-[3-[4-ethyl-2-(N-oxidanyl-C-phenyl-carbonimidoyl)phenoxy]butoxy]-2-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[3-[4-ethyl-2-(N-hydroxy-C-phenyl-carbonimidoyl)phenoxy]butoxy]-2-methyl-phenyl]propanoic acid CAS Name: 3-[4-[3-[4-ethyl-2-[hydroxyimino(phenyl)methyl]phenoxy]butoxy]-2-methylphenyl]propanoic acid IUPAC Name: 3-[4-[3-[4-ethyl-2-(N-hydroxy-C-phenylcarbonimidoyl)phenoxy]butoxy]-2-methylphenyl]propanoic acid Traditional Name: 3-[4-[3-[4-ethyl-2-(phenylcarbohydroximoyl)phenoxy]butoxy]-2-methyl-phenyl]propionic acid Formula: C29H33NO5 MolecularWeight: 475.57602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OC(C)CCOC2=CC(=C(C=C2)CCC(=O)O)C)C(=NO)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=C(C=C1)OC(C)CCOC2=CC(=C(C=C2)CCC(=O)O)C)C(=NO)C3=CC=CC=C3

InChI

InChI=1S/C29H33NO5/c1-4-22-10-14-27(26(19-22)29(30-33)24-8-6-5-7-9-24)35-21(3)16-17-34-25-13-11-23(20(2)18-25)12-15-28(31)32/h5-11,13-14,18-19,21,33H,4,12,15-17H2,1-3H3,(H,31,32)