3-(3-oxidanylideneicosanoylamino)-4-phenoxy-benzoic acid

Systemtic Name: 3-(3-oxidanylideneicosanoylamino)-4-phenoxy-benzoic acid Openeye Name: 3-(3-oxoicosanoylamino)-4-phenoxy-benzoic acid CAS Name: 3-(1,3-dioxoeicosylamino)-4-phenoxybenzoic acid IUPAC Name: 3-(3-oxoicosanoylamino)-4-phenoxybenzoic acid Traditional Name: 3-(3-ketoeicosanoylamino)-4-phenoxy-benzoic acid Formula: C33H47NO5 MolecularWeight: 537.72998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H47NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-28(35)26-32(36)34-30-25-27(33(37)38)23-24-31(30)39-29-21-18-16-19-22-29/h16,18-19,21-25H,2-15,17,20,26H2,1H3,(H,34,36)(H,37,38)