3-[2-decoxy-5-[(Z)-C-(3-ethoxycarbonylphenyl)-N-oxidanyl-carbonimidoyl]phenyl]propanoic acid

Systemtic Name: 3-[2-decoxy-5-[(Z)-C-(3-ethoxycarbonylphenyl)-N-oxidanyl-carbonimidoyl]phenyl]propanoic acid Openeye Name: 3-[2-decoxy-5-[(Z)-C-(3-ethoxycarbonylphenyl)-N-hydroxy-carbonimidoyl]phenyl]propanoic acid CAS Name: 3-[2-decoxy-5-[(Z)-(3-ethoxycarbonylphenyl)-hydroxyiminomethyl]phenyl]propanoic acid IUPAC Name: 3-[2-decoxy-5-[(Z)-C-(3-ethoxycarbonylphenyl)-N-hydroxycarbonimidoyl]phenyl]propanoic acid Traditional Name: 3-[5-[(Z)-(3-carbethoxyphenyl)carbohydroximoyl]-2-decoxy-phenyl]propionic acid Formula: C29H39NO6 MolecularWeight: 497.62306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C(=NO)C2=CC(=CC=C2)C(=O)OCC)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)/C(=N/O)/C2=CC(=CC=C2)C(=O)OCC)CCC(=O)O

InChI

InChI=1S/C29H39NO6/c1-3-5-6-7-8-9-10-11-19-36-26-17-15-24(20-22(26)16-18-27(31)32)28(30-34)23-13-12-14-25(21-23)29(33)35-4-2/h12-15,17,20-21,34H,3-11,16,18-19H2,1-2H3,(H,31,32)/b30-28+