2-[[(6-hexyl-7-propyl-2H-1,4-benzoxazin-3-yl)amino]methylidene]propanedioic acid

Systemtic Name: 2-[[(6-hexyl-7-propyl-2H-1,4-benzoxazin-3-yl)amino]methylidene]propanedioic acid Openeye Name: 2-[[(6-hexyl-7-propyl-2H-1,4-benzoxazin-3-yl)amino]methylene]propanedioic acid CAS Name: 2-[[(6-hexyl-7-propyl-2H-1,4-benzoxazin-3-yl)amino]methylidene]propanedioic acid IUPAC Name: 2-[[(6-hexyl-7-propyl-2H-1,4-benzoxazin-3-yl)amino]methylidene]propanedioic acid Traditional Name: 2-[[(6-hexyl-7-propyl-2H-1,4-benzoxazin-3-yl)amino]methylene]malonic acid Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1CCC)OCC(=N2)NC=C(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1CCC)OCC(=N2)NC=C(C(=O)O)C(=O)O

InChI

InChI=1S/C21H28N2O5/c1-3-5-6-7-9-15-10-17-18(11-14(15)8-4-2)28-13-19(23-17)22-12-16(20(24)25)21(26)27/h10-12H,3-9,13H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)