4-(3-aminocarbonyl-5-carboxy-phenoxy)-3-[5-(3-undecyloxiran-2-yl)pentanoylamino]benzoic acid

Systemtic Name: 4-(3-aminocarbonyl-5-carboxy-phenoxy)-3-[5-(3-undecyloxiran-2-yl)pentanoylamino]benzoic acid Openeye Name: 4-(3-carbamoyl-5-carboxy-phenoxy)-3-[5-(3-undecyloxiran-2-yl)pentanoylamino]benzoic acid CAS Name: 4-(3-carbamoyl-5-carboxyphenoxy)-3-[[1-oxo-5-(3-undecyl-2-oxiranyl)pentyl]amino]benzoic acid IUPAC Name: 4-(3-carbamoyl-5-carboxyphenoxy)-3-[5-(3-undecyloxiran-2-yl)pentanoylamino]benzoic acid Traditional Name: 4-(3-carbamoyl-5-carboxy-phenoxy)-3-[5-(3-undecyloxiran-2-yl)pentanoylamino]benzoic acid Formula: C33H44N2O8 MolecularWeight: 596.71106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1C(O1)CCCCC(=O)NC2=C(C=CC(=C2)C(=O)O)OC3=CC(=CC(=C3)C(=O)O)C(=O)N

Isomeric SMILES

CCCCCCCCCCCC1C(O1)CCCCC(=O)NC2=C(C=CC(=C2)C(=O)O)OC3=CC(=CC(=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C33H44N2O8/c1-2-3-4-5-6-7-8-9-10-13-28-29(43-28)14-11-12-15-30(36)35-26-21-22(32(38)39)16-17-27(26)42-25-19-23(31(34)37)18-24(20-25)33(40)41/h16-21,28-29H,2-15H2,1H3,(H2,34,37)(H,35,36)(H,38,39)(H,40,41)