5-[2-[[3-(butan-2-ylamino)-4-methyl-phenyl]amino]-2-oxidanylidene-ethoxy]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[2-[[3-(butan-2-ylamino)-4-methyl-phenyl]amino]-2-oxidanylidene-ethoxy]benzene-1,3-dicarboxylic acid Openeye Name: 5-[2-[4-methyl-3-(sec-butylamino)anilino]-2-oxo-ethoxy]benzene-1,3-dicarboxylic acid CAS Name: 5-[2-[3-(butan-2-ylamino)-4-methylanilino]-2-oxoethoxy]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[2-[3-(butan-2-ylamino)-4-methylanilino]-2-oxoethoxy]benzene-1,3-dicarboxylic acid Traditional Name: 5-[2-keto-2-[4-methyl-3-(sec-butylamino)anilino]ethoxy]isophthalic acid Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(C=CC(=C1)NC(=O)COC2=CC(=CC(=C2)C(=O)O)C(=O)O)C

Isomeric SMILES

CCC(C)NC1=C(C=CC(=C1)NC(=O)COC2=CC(=CC(=C2)C(=O)O)C(=O)O)C

InChI

InChI=1S/C21H24N2O6/c1-4-13(3)22-18-10-16(6-5-12(18)2)23-19(24)11-29-17-8-14(20(25)26)7-15(9-17)21(27)28/h5-10,13,22H,4,11H2,1-3H3,(H,23,24)(H,25,26)(H,27,28)