4-[[ethanoyl-(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)amino]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[ethanoyl-(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)amino]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[(N,4-diacetyl-3-hydroxy-2-propyl-anilino)methyl]-3-methoxy-benzoic acid CAS Name: 4-[(N,4-diacetyl-3-hydroxy-2-propylanilino)methyl]-3-methoxybenzoic acid IUPAC Name: 4-[(N,4-diacetyl-3-hydroxy-2-propylanilino)methyl]-3-methoxybenzoic acid Traditional Name: 4-[(N,4-diacetyl-3-hydroxy-2-propyl-anilino)methyl]-3-methoxy-benzoic acid Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)N(CC2=C(C=C(C=C2)C(=O)O)OC)C(=O)C

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)N(CC2=C(C=C(C=C2)C(=O)O)OC)C(=O)C

InChI

InChI=1S/C22H25NO6/c1-5-6-18-19(10-9-17(13(2)24)21(18)26)23(14(3)25)12-16-8-7-15(22(27)28)11-20(16)29-4/h7-11,26H,5-6,12H2,1-4H3,(H,27,28)