2-(4-carboxyphenoxy)-5-(3-oxidanylideneicosanoylamino)benzoic acid

Systemtic Name: 2-(4-carboxyphenoxy)-5-(3-oxidanylideneicosanoylamino)benzoic acid Openeye Name: 2-(4-carboxyphenoxy)-5-(3-oxoicosanoylamino)benzoic acid CAS Name: 2-(4-carboxyphenoxy)-5-(1,3-dioxoeicosylamino)benzoic acid IUPAC Name: 2-(4-carboxyphenoxy)-5-(3-oxoicosanoylamino)benzoic acid Traditional Name: 2-(4-carboxyphenoxy)-5-(3-ketoeicosanoylamino)benzoic acid Formula: C34H47NO7 MolecularWeight: 581.73948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)CC(=O)NC1=CC(=C(C=C1)OC2=CC=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)CC(=O)NC1=CC(=C(C=C1)OC2=CC=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C34H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(36)25-32(37)35-27-20-23-31(30(24-27)34(40)41)42-29-21-18-26(19-22-29)33(38)39/h18-24H,2-17,25H2,1H3,(H,35,37)(H,38,39)(H,40,41)