2-[[1,1-bis(4-methyl-3-oxidanyl-phenyl)-3-oxidanylidene-2-benzofuran-4-yl]methylamino]ethanoic acid

Systemtic Name: 2-[[1,1-bis(4-methyl-3-oxidanyl-phenyl)-3-oxidanylidene-2-benzofuran-4-yl]methylamino]ethanoic acid Openeye Name: 2-[[1,1-bis(3-hydroxy-4-methyl-phenyl)-3-oxo-isobenzofuran-4-yl]methylamino]acetic acid CAS Name: 2-[[1,1-bis(3-hydroxy-4-methylphenyl)-3-oxo-4-isobenzofuranyl]methylamino]acetic acid IUPAC Name: 2-[[1,1-bis(3-hydroxy-4-methylphenyl)-3-oxo-2-benzofuran-4-yl]methylamino]acetic acid Traditional Name: 2-[[1,1-bis(3-hydroxy-4-methyl-phenyl)-3-keto-phthalan-4-yl]methylamino]acetic acid Formula: C25H23NO6 MolecularWeight: 433.45322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2(C3=C(C(=CC=C3)CNCC(=O)O)C(=O)O2)C4=CC(=C(C=C4)C)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C2(C3=C(C(=CC=C3)CNCC(=O)O)C(=O)O2)C4=CC(=C(C=C4)C)O)O

InChI

InChI=1S/C25H23NO6/c1-14-6-8-17(10-20(14)27)25(18-9-7-15(2)21(28)11-18)19-5-3-4-16(12-26-13-22(29)30)23(19)24(31)32-25/h3-11,26-28H,12-13H2,1-2H3,(H,29,30)