6-methyl-2-octadec-11-ynoxy-3,1-benzoxazin-4-one

Systemtic Name: 6-methyl-2-octadec-11-ynoxy-3,1-benzoxazin-4-one Openeye Name: 6-methyl-2-octadec-11-ynoxy-3,1-benzoxazin-4-one CAS Name: 6-methyl-2-octadec-11-ynoxy-3,1-benzoxazin-4-one IUPAC Name: 6-methyl-2-octadec-11-ynoxy-3,1-benzoxazin-4-one Traditional Name: 6-methyl-2-octadec-11-ynoxy-3,1-benzoxazin-4-one Formula: C27H39NO3 MolecularWeight: 425.60346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CCCCCCCCCCCOC1=NC2=C(C=C(C=C2)C)C(=O)O1

Isomeric SMILES

CCCCCCC#CCCCCCCCCCCOC1=NC2=C(C=C(C=C2)C)C(=O)O1

InChI

InChI=1S/C27H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-30-27-28-25-20-19-23(2)22-24(25)26(29)31-27/h19-20,22H,3-7,10-18,21H2,1-2H3