4-[[4-(hexylcarbamoyl)-3-oxidanyl-2-propyl-phenoxy]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[4-(hexylcarbamoyl)-3-oxidanyl-2-propyl-phenoxy]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[4-(hexylcarbamoyl)-3-hydroxy-2-propyl-phenoxy]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[4-[(hexylamino)-oxomethyl]-3-hydroxy-2-propylphenoxy]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[4-(hexylcarbamoyl)-3-hydroxy-2-propylphenoxy]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[4-(hexylcarbamoyl)-3-hydroxy-2-propyl-phenoxy]methyl]-3-methoxy-benzoic acid Formula: C25H33NO6 MolecularWeight: 443.53262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=C(C(=C(C=C1)OCC2=C(C=C(C=C2)C(=O)O)OC)CCC)O

Isomeric SMILES

CCCCCCNC(=O)C1=C(C(=C(C=C1)OCC2=C(C=C(C=C2)C(=O)O)OC)CCC)O

InChI

InChI=1S/C25H33NO6/c1-4-6-7-8-14-26-24(28)20-12-13-21(19(9-5-2)23(20)27)32-16-18-11-10-17(25(29)30)15-22(18)31-3/h10-13,15,27H,4-9,14,16H2,1-3H3,(H,26,28)(H,29,30)