2-[(4E)-4-[2-(4-acetyloxy-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)ethylidene]-3-methyl-piperidin-3-yl]propanoic acid

Systemtic Name: 2-[(4E)-4-[2-(4-acetyloxy-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)ethylidene]-3-methyl-piperidin-3-yl]propanoic acid Openeye Name: 2-[(4E)-4-[2-(4-acetoxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethylidene]-3-methyl-3-piperidyl]propanoic acid CAS Name: 2-[(4E)-4-[2-(4-acetyloxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethylidene]-3-methyl-3-piperidinyl]propanoic acid IUPAC Name: 2-[(4E)-4-[2-(4-acetyloxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)ethylidene]-3-methylpiperidin-3-yl]propanoic acid Traditional Name: 2-[(4E)-4-[2-(4-acetoxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)ethylidene]-3-methyl-3-piperidyl]propionic acid Formula: C23H29NO7 MolecularWeight: 431.47886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)OC(=O)C)CC=C3CCNCC3(C)C(C)C(=O)O)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)OC(=O)C)C/C=C/3\CCNCC3(C)C(C)C(=O)O)OC

InChI

InChI=1S/C23H29NO7/c1-12-17-10-30-22(28)18(17)20(31-14(3)25)16(19(12)29-5)7-6-15-8-9-24-11-23(15,4)13(2)21(26)27/h6,13,24H,7-11H2,1-5H3,(H,26,27)/b15-6+