3-[4,4-bis(ethoxycarbonyl)octanoylamino]benzoic acid

Systemtic Name: 3-[4,4-bis(ethoxycarbonyl)octanoylamino]benzoic acid Openeye Name: 3-[4,4-bis(ethoxycarbonyl)octanoylamino]benzoic acid CAS Name: 3-[[4,4-bis(ethoxycarbonyl)-1-oxooctyl]amino]benzoic acid IUPAC Name: 3-[4,4-bis(ethoxycarbonyl)octanoylamino]benzoic acid Traditional Name: 3-(4,4-dicarbethoxyoctanoylamino)benzoic acid Formula: C21H29NO7 MolecularWeight: 407.45746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(=O)NC1=CC=CC(=C1)C(=O)O)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCC(CCC(=O)NC1=CC=CC(=C1)C(=O)O)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C21H29NO7/c1-4-7-12-21(19(26)28-5-2,20(27)29-6-3)13-11-17(23)22-16-10-8-9-15(14-16)18(24)25/h8-10,14H,4-7,11-13H2,1-3H3,(H,22,23)(H,24,25)