4-[[(4R)-3,6,6-trimethyl-4-oxidanyl-5,7-dihydro-4H-1-benzofuran-2-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[(4R)-3,6,6-trimethyl-4-oxidanyl-5,7-dihydro-4H-1-benzofuran-2-yl]carbonylamino]benzoic acid Openeye Name: 4-[[(4R)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-benzofuran-2-carbonyl]amino]benzoic acid CAS Name: 4-[[[(4R)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-benzofuran-2-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[(4R)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carbonyl]amino]benzoic acid Traditional Name: 4-[[(4R)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-benzofuran-2-carbonyl]amino]benzoic acid Formula: C19H21NO5 MolecularWeight: 343.37374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(CC(C2)(C)C)O)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1[C@@H](CC(C2)(C)C)O)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H21NO5/c1-10-15-13(21)8-19(2,3)9-14(15)25-16(10)17(22)20-12-6-4-11(5-7-12)18(23)24/h4-7,13,21H,8-9H2,1-3H3,(H,20,22)(H,23,24)/t13-/m1/s1