3-[(1-butyl-3-oxidanylidene-1H-2-benzofuran-5-yl)amino]-2-methyl-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[(1-butyl-3-oxidanylidene-1H-2-benzofuran-5-yl)amino]-2-methyl-3-oxidanylidene-propanoic acid Openeye Name: 3-[(1-butyl-3-oxo-1H-isobenzofuran-5-yl)amino]-2-methyl-3-oxo-propanoic acid CAS Name: 3-[(1-butyl-3-oxo-1H-isobenzofuran-5-yl)amino]-2-methyl-3-oxopropanoic acid IUPAC Name: 3-[(1-butyl-3-oxo-1H-2-benzofuran-5-yl)amino]-2-methyl-3-oxopropanoic acid Traditional Name: 3-[(1-butyl-3-keto-phthalan-5-yl)amino]-3-keto-2-methyl-propionic acid Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=C(C=C(C=C2)NC(=O)C(C)C(=O)O)C(=O)O1

Isomeric SMILES

CCCCC1C2=C(C=C(C=C2)NC(=O)C(C)C(=O)O)C(=O)O1

InChI

InChI=1S/C16H19NO5/c1-3-4-5-13-11-7-6-10(8-12(11)16(21)22-13)17-14(18)9(2)15(19)20/h6-9,13H,3-5H2,1-2H3,(H,17,18)(H,19,20)