4-[[3-ethoxy-4-(2-methylpropoxy)phenyl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[3-ethoxy-4-(2-methylpropoxy)phenyl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[(3-ethoxy-4-isobutoxy-benzoyl)amino]-3-methyl-benzoic acid CAS Name: 4-[[[3-ethoxy-4-(2-methylpropoxy)phenyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[3-ethoxy-4-(2-methylpropoxy)benzoyl]amino]-3-methylbenzoic acid Traditional Name: 4-[(3-ethoxy-4-isobutoxy-benzoyl)amino]-3-methyl-benzoic acid Formula: C21H25NO5 MolecularWeight: 371.4269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)C(=O)O)C)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)C(=O)O)C)OCC(C)C

InChI

InChI=1S/C21H25NO5/c1-5-26-19-11-15(7-9-18(19)27-12-13(2)3)20(23)22-17-8-6-16(21(24)25)10-14(17)4/h6-11,13H,5,12H2,1-4H3,(H,22,23)(H,24,25)