5-[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethoxy]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethoxy]benzene-1,3-dicarboxylic acid Openeye Name: 5-[2-(1,5-dimethylhexylamino)-2-oxo-ethoxy]benzene-1,3-dicarboxylic acid CAS Name: 5-[2-(6-methylheptan-2-ylamino)-2-oxoethoxy]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[2-(6-methylheptan-2-ylamino)-2-oxoethoxy]benzene-1,3-dicarboxylic acid Traditional Name: 5-[2-(1,5-dimethylhexylamino)-2-keto-ethoxy]isophthalic acid Formula: C18H25NO6 MolecularWeight: 351.3942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)COC1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CCCC(C)NC(=O)COC1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C18H25NO6/c1-11(2)5-4-6-12(3)19-16(20)10-25-15-8-13(17(21)22)7-14(9-15)18(23)24/h7-9,11-12H,4-6,10H2,1-3H3,(H,19,20)(H,21,22)(H,23,24)