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

Systemtic Name: 4-[[5-[(E)-6-ethoxy-3-methyl-6-oxidanylidene-hex-2-enyl]-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-4-yl]oxycarbonylamino]benzoic acid Openeye Name: 4-[[5-[(E)-6-ethoxy-3-methyl-6-oxo-hex-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-4-yl]oxycarbonylamino]benzoic acid CAS Name: 4-[[[5-[(E)-6-ethoxy-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-[(E)-6-ethoxy-3-methyl-6-oxohex-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxycarbonylamino]benzoic acid Traditional Name: 4-[[5-[(E)-6-ethoxy-6-keto-3-methyl-hex-2-enyl]-3-keto-6-methoxy-7-methyl-phthalan-4-yl]oxycarbonylamino]benzoic acid Formula: C27H29NO9 MolecularWeight: 511.52046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=CCC1=C(C2=C(COC2=O)C(=C1OC)C)OC(=O)NC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CCOC(=O)CC/C(=C/CC1=C(C2=C(COC2=O)C(=C1OC)C)OC(=O)NC3=CC=C(C=C3)C(=O)O)/C

InChI

InChI=1S/C27H29NO9/c1-5-35-21(29)13-7-15(2)6-12-19-23(34-4)16(3)20-14-36-26(32)22(20)24(19)37-27(33)28-18-10-8-17(9-11-18)25(30)31/h6,8-11H,5,7,12-14H2,1-4H3,(H,28,33)(H,30,31)/b15-6+