3-methyl-4-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanoylamino]benzoic acid

Systemtic Name: 3-methyl-4-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanoylamino]benzoic acid Openeye Name: 3-methyl-4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoic acid CAS Name: 3-methyl-4-[[1-oxo-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoic acid Traditional Name: 3-methyl-4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoic acid Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)COC2=CC3=C(C=C2)OC4=C3CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)COC2=CC3=C(C=C2)OC4=C3CCCC4

InChI

InChI=1S/C22H21NO5/c1-13-10-14(22(25)26)6-8-18(13)23-21(24)12-27-15-7-9-20-17(11-15)16-4-2-3-5-19(16)28-20/h6-11H,2-5,12H2,1H3,(H,23,24)(H,25,26)