2-methyl-6-[[3-[[phenyl(propanoyl)amino]methyl]phenyl]methoxy]-4-propan-2-yloxy-benzoic acid

Systemtic Name: 2-methyl-6-[[3-[[phenyl(propanoyl)amino]methyl]phenyl]methoxy]-4-propan-2-yloxy-benzoic acid Openeye Name: 4-isopropoxy-2-methyl-6-[[3-[(N-propanoylanilino)methyl]phenyl]methoxy]benzoic acid CAS Name: 2-methyl-6-[[3-[[N-(1-oxopropyl)anilino]methyl]phenyl]methoxy]-4-propan-2-yloxybenzoic acid IUPAC Name: 2-methyl-6-[[3-[(N-propanoylanilino)methyl]phenyl]methoxy]-4-propan-2-yloxybenzoic acid Traditional Name: 4-isopropoxy-2-methyl-6-[3-[(N-propionylanilino)methyl]benzyl]oxy-benzoic acid Formula: C28H31NO5 MolecularWeight: 461.54944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CC1=CC(=CC=C1)COC2=C(C(=CC(=C2)OC(C)C)C)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)N(CC1=CC(=CC=C1)COC2=C(C(=CC(=C2)OC(C)C)C)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C28H31NO5/c1-5-26(30)29(23-12-7-6-8-13-23)17-21-10-9-11-22(15-21)18-33-25-16-24(34-19(2)3)14-20(4)27(25)28(31)32/h6-16,19H,5,17-18H2,1-4H3,(H,31,32)