6-azanyl-2-(3,4,5-tripropoxyphenyl)carbonyl-hexanoic acid

Systemtic Name: 6-azanyl-2-(3,4,5-tripropoxyphenyl)carbonyl-hexanoic acid Openeye Name: 6-amino-2-(3,4,5-tripropoxybenzoyl)hexanoic acid CAS Name: 6-amino-2-[oxo-(3,4,5-tripropoxyphenyl)methyl]hexanoic acid IUPAC Name: 6-amino-2-(3,4,5-tripropoxybenzoyl)hexanoic acid Traditional Name: 6-amino-2-(3,4,5-tripropoxybenzoyl)hexanoic acid Formula: C22H35NO6 MolecularWeight: 409.5164

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=CC(=C1OCCC)OCCC)C(=O)C(CCCCN)C(=O)O

Isomeric SMILES

CCCOC1=CC(=CC(=C1OCCC)OCCC)C(=O)C(CCCCN)C(=O)O

InChI

InChI=1S/C22H35NO6/c1-4-11-27-18-14-16(20(24)17(22(25)26)9-7-8-10-23)15-19(28-12-5-2)21(18)29-13-6-3/h14-15,17H,4-13,23H2,1-3H3,(H,25,26)