4-[[6-methoxy-7-methyl-5-[(Z)-3-methyl-6-oxidanyl-6-oxidanylidene-hex-2-enyl]-3-oxidanylidene-1H-2-benzofuran-4-yl]oxycarbonylamino]benzoic acid

Systemtic Name: 4-[[6-methoxy-7-methyl-5-[(Z)-3-methyl-6-oxidanyl-6-oxidanylidene-hex-2-enyl]-3-oxidanylidene-1H-2-benzofuran-4-yl]oxycarbonylamino]benzoic acid Openeye Name: 4-[[5-[(Z)-6-hydroxy-3-methyl-6-oxo-hex-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-4-yl]oxycarbonylamino]benzoic acid CAS Name: 4-[[[5-[(Z)-6-hydroxy-3-methyl-6-oxohex-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-4-yl]oxy-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[5-[(Z)-6-hydroxy-3-methyl-6-oxohex-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxycarbonylamino]benzoic acid Traditional Name: 4-[[5-[(Z)-6-hydroxy-6-keto-3-methyl-hex-2-enyl]-3-keto-6-methoxy-7-methyl-phthalan-4-yl]oxycarbonylamino]benzoic acid Formula: C25H25NO9 MolecularWeight: 483.4673

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)OC(=O)NC3=CC=C(C=C3)C(=O)O)CC=C(C)CCC(=O)O)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)OC(=O)NC3=CC=C(C=C3)C(=O)O)C/C=C(/C)\CCC(=O)O)OC

InChI

InChI=1S/C25H25NO9/c1-13(5-11-19(27)28)4-10-17-21(33-3)14(2)18-12-34-24(31)20(18)22(17)35-25(32)26-16-8-6-15(7-9-16)23(29)30/h4,6-9H,5,10-12H2,1-3H3,(H,26,32)(H,27,28)(H,29,30)/b13-4-