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

Systemtic Name: 3-methoxy-4-[[4-(methylcarbamoyl)-3-oxidanyl-2-propyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[3-hydroxy-4-(methylcarbamoyl)-2-propyl-phenoxy]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[3-hydroxy-4-(methylcarbamoyl)-2-propylphenoxy]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[3-hydroxy-4-(methylcarbamoyl)-2-propylphenoxy]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[3-hydroxy-4-(methylcarbamoyl)-2-propyl-phenoxy]methyl]-3-methoxy-benzoic acid Formula: C20H23NO6 MolecularWeight: 373.39972

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)NC)OCC2=C(C=C(C=C2)C(=O)O)OC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)NC)OCC2=C(C=C(C=C2)C(=O)O)OC

InChI

InChI=1S/C20H23NO6/c1-4-5-14-16(9-8-15(18(14)22)19(23)21-2)27-11-13-7-6-12(20(24)25)10-17(13)26-3/h6-10,22H,4-5,11H2,1-3H3,(H,21,23)(H,24,25)