4-[4-(3-methylbutyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[4-(3-methylbutyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate Openeye Name: 4-(4-isopentyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxo-butanoate CAS Name: 4-[4-(3-methylbutyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate IUPAC Name: 4-[4-(3-methylbutyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate Traditional Name: 4-(4-isoamyl-3-keto-1,4-benzoxazin-6-yl)-4-keto-butyrate Formula: C17H20NO5- MolecularWeight: 318.3444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)COC2=C1C=C(C=C2)C(=O)CCC(=O)[O-]

Isomeric SMILES

CC(C)CCN1C(=O)COC2=C1C=C(C=C2)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C17H21NO5/c1-11(2)7-8-18-13-9-12(14(19)4-6-17(21)22)3-5-15(13)23-10-16(18)20/h3,5,9,11H,4,6-8,10H2,1-2H3,(H,21,22)/p-1