2-[(4E)-4-[2-(4-acetyloxy-6-ethenyl-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-ethenyl-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-7-methyl-3-oxo-6-vinyl-1H-isobenzofuran-5-yl)ethylidene]-3-methyl-3-piperidyl]propanoic acid CAS Name: 2-[(4E)-4-[2-(4-acetyloxy-6-ethenyl-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethylidene]-3-methyl-3-piperidinyl]propanoic acid IUPAC Name: 2-[(4E)-4-[2-(4-acetyloxy-6-ethenyl-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-7-methyl-6-vinyl-phthalan-5-yl)ethylidene]-3-methyl-3-piperidyl]propionic acid Formula: C24H29NO6 MolecularWeight: 427.49016

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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)C=C

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO6/c1-6-17-13(2)19-11-30-23(29)20(19)21(31-15(4)26)18(17)8-7-16-9-10-25-12-24(16,5)14(3)22(27)28/h6-7,14,25H,1,8-12H2,2-5H3,(H,27,28)/b16-7+