9-hexyl-1-oxidanylidene-8-propyl-5H-pyrimido[2,1-c][1,4]benzoxazine-2-carboxylic acid

Systemtic Name: 9-hexyl-1-oxidanylidene-8-propyl-5H-pyrimido[2,1-c][1,4]benzoxazine-2-carboxylic acid Openeye Name: 9-hexyl-1-oxo-8-propyl-5H-pyrimido[2,1-c][1,4]benzoxazine-2-carboxylic acid CAS Name: 9-hexyl-1-oxo-8-propyl-5H-pyrimido[2,1-c][1,4]benzoxazine-2-carboxylic acid IUPAC Name: 9-hexyl-1-oxo-8-propyl-5H-pyrimido[2,1-c][1,4]benzoxazine-2-carboxylic acid Traditional Name: 9-hexyl-1-keto-8-propyl-5H-pyrimido[2,1-c][1,4]benzoxazine-2-carboxylic acid Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1CCC)OCC3=NC=C(C(=O)N32)C(=O)O

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1CCC)OCC3=NC=C(C(=O)N32)C(=O)O

InChI

InChI=1S/C21H26N2O4/c1-3-5-6-7-9-15-10-17-18(11-14(15)8-4-2)27-13-19-22-12-16(21(25)26)20(24)23(17)19/h10-12H,3-9,13H2,1-2H3,(H,25,26)