6-[(4-oxidanylidene-2-undecyl-3,1-benzoxazin-6-yl)methyl]-2-undecyl-3,1-benzoxazin-4-one

Systemtic Name: 6-[(4-oxidanylidene-2-undecyl-3,1-benzoxazin-6-yl)methyl]-2-undecyl-3,1-benzoxazin-4-one Openeye Name: 6-[(4-oxo-2-undecyl-3,1-benzoxazin-6-yl)methyl]-2-undecyl-3,1-benzoxazin-4-one CAS Name: 6-[(4-oxo-2-undecyl-3,1-benzoxazin-6-yl)methyl]-2-undecyl-3,1-benzoxazin-4-one IUPAC Name: 6-[(4-oxo-2-undecyl-3,1-benzoxazin-6-yl)methyl]-2-undecyl-3,1-benzoxazin-4-one Traditional Name: 6-[(4-keto-2-undecyl-3,1-benzoxazin-6-yl)methyl]-2-undecyl-3,1-benzoxazin-4-one Formula: C39H54N2O4 MolecularWeight: 614.85706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NC2=C(C=C(C=C2)CC3=CC4=C(C=C3)N=C(OC4=O)CCCCCCCCCCC)C(=O)O1

Isomeric SMILES

CCCCCCCCCCCC1=NC2=C(C=C(C=C2)CC3=CC4=C(C=C3)N=C(OC4=O)CCCCCCCCCCC)C(=O)O1

InChI

InChI=1S/C39H54N2O4/c1-3-5-7-9-11-13-15-17-19-21-36-40-34-25-23-30(28-32(34)38(42)44-36)27-31-24-26-35-33(29-31)39(43)45-37(41-35)22-20-18-16-14-12-10-8-6-4-2/h23-26,28-29H,3-22,27H2,1-2H3