(1R,2E)-2-[2-(4-azanyl-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)ethylidene]cyclopentane-1-carboxylic acid

Systemtic Name: (1R,2E)-2-[2-(4-azanyl-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)ethylidene]cyclopentane-1-carboxylic acid Openeye Name: (1R,2E)-2-[2-(4-amino-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethylidene]cyclopentanecarboxylic acid CAS Name: (1R,2E)-2-[2-(4-amino-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethylidene]-1-cyclopentanecarboxylic acid IUPAC Name: (1R,2E)-2-[2-(4-amino-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)ethylidene]cyclopentane-1-carboxylic acid Traditional Name: (1R,2E)-2-[2-(4-amino-3-keto-6-methoxy-7-methyl-phthalan-5-yl)ethylidene]cyclopentanecarboxylic acid Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)N)CC=C3CCCC3C(=O)O)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)N)C/C=C/3\CCC[C@H]3C(=O)O)OC

InChI

InChI=1S/C18H21NO5/c1-9-13-8-24-18(22)14(13)15(19)12(16(9)23-2)7-6-10-4-3-5-11(10)17(20)21/h6,11H,3-5,7-8,19H2,1-2H3,(H,20,21)/b10-6+/t11-/m1/s1