2-[(4-ethoxy-3,5-dimethoxy-phenyl)carbonylamino]heptanedioic acid

Systemtic Name: 2-[(4-ethoxy-3,5-dimethoxy-phenyl)carbonylamino]heptanedioic acid Openeye Name: 2-[(4-ethoxy-3,5-dimethoxy-benzoyl)amino]heptanedioic acid CAS Name: 2-[[(4-ethoxy-3,5-dimethoxyphenyl)-oxomethyl]amino]heptanedioic acid IUPAC Name: 2-[(4-ethoxy-3,5-dimethoxybenzoyl)amino]heptanedioic acid Traditional Name: 2-[(4-ethoxy-3,5-dimethoxy-benzoyl)amino]pimelic acid Formula: C18H25NO8 MolecularWeight: 383.393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1OC)C(=O)NC(CCCCC(=O)O)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1OC)C(=O)NC(CCCCC(=O)O)C(=O)O)OC

InChI

InChI=1S/C18H25NO8/c1-4-27-16-13(25-2)9-11(10-14(16)26-3)17(22)19-12(18(23)24)7-5-6-8-15(20)21/h9-10,12H,4-8H2,1-3H3,(H,19,22)(H,20,21)(H,23,24)