2-(2-methanoyl-4-methoxy-5-oxidanyl-phenyl)-5-(2-methylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-(2-methanoyl-4-methoxy-5-oxidanyl-phenyl)-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-(2-formyl-5-hydroxy-4-methoxy-phenyl)-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-(2-formyl-5-hydroxy-4-methoxyphenyl)-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-(2-formyl-5-hydroxy-4-methoxyphenyl)-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-(2-formyl-5-hydroxy-4-methoxy-phenyl)-5-(isobutylcarbamoyl)benzoic acid Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC(=C(C=C2C=O)OC)O)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC(=C(C=C2C=O)OC)O)C(=O)O

InChI

InChI=1S/C20H21NO6/c1-11(2)9-21-19(24)12-4-5-14(16(6-12)20(25)26)15-8-17(23)18(27-3)7-13(15)10-22/h4-8,10-11,23H,9H2,1-3H3,(H,21,24)(H,25,26)