3-[(3,4,5-tripropoxyphenyl)carbonylamino]hexanedioic acid

Systemtic Name: 3-[(3,4,5-tripropoxyphenyl)carbonylamino]hexanedioic acid Openeye Name: 3-[(3,4,5-tripropoxybenzoyl)amino]hexanedioic acid CAS Name: 3-[[oxo-(3,4,5-tripropoxyphenyl)methyl]amino]hexanedioic acid IUPAC Name: 3-[(3,4,5-tripropoxybenzoyl)amino]hexanedioic acid Traditional Name: 3-[(3,4,5-tripropoxybenzoyl)amino]adipic acid Formula: C22H33NO8 MolecularWeight: 439.49932

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=CC(=C1OCCC)OCCC)C(=O)NC(CCC(=O)O)CC(=O)O

Isomeric SMILES

CCCOC1=CC(=CC(=C1OCCC)OCCC)C(=O)NC(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C22H33NO8/c1-4-9-29-17-12-15(13-18(30-10-5-2)21(17)31-11-6-3)22(28)23-16(14-20(26)27)7-8-19(24)25/h12-13,16H,4-11,14H2,1-3H3,(H,23,28)(H,24,25)(H,26,27)