4-[2-[6-(butylamino)-6-oxidanylidene-hexoxy]ethanoyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[2-[6-(butylamino)-6-oxidanylidene-hexoxy]ethanoyl]benzene-1,3-dicarboxylic acid Openeye Name: 4-[2-[6-(butylamino)-6-oxo-hexoxy]acetyl]benzene-1,3-dicarboxylic acid CAS Name: 4-[2-[6-(butylamino)-6-oxohexoxy]-1-oxoethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[2-[6-(butylamino)-6-oxohexoxy]acetyl]benzene-1,3-dicarboxylic acid Traditional Name: 4-[2-[6-(butylamino)-6-keto-hexoxy]acetyl]isophthalic acid Formula: C20H27NO7 MolecularWeight: 393.43088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCCCCOCC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCNC(=O)CCCCCOCC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C20H27NO7/c1-2-3-10-21-18(23)7-5-4-6-11-28-13-17(22)15-9-8-14(19(24)25)12-16(15)20(26)27/h8-9,12H,2-7,10-11,13H2,1H3,(H,21,23)(H,24,25)(H,26,27)