O4-octan-2-yl O5-phenyl 2-(4-decoxyphenyl)-1,3-benzoxazole-4,5-dicarboxylate

Systemtic Name: O4-octan-2-yl O5-phenyl 2-(4-decoxyphenyl)-1,3-benzoxazole-4,5-dicarboxylate Openeye Name: O4-(1-methylheptyl) O5-phenyl 2-(4-decoxyphenyl)-1,3-benzoxazole-4,5-dicarboxylate CAS Name: 2-(4-decoxyphenyl)-1,3-benzoxazole-4,5-dicarboxylic acid O4-octan-2-yl ester O5-phenyl ester IUPAC Name: 4-O-octan-2-yl 5-O-phenyl 2-(4-decoxyphenyl)-1,3-benzoxazole-4,5-dicarboxylate Traditional Name: 2-(4-decoxyphenyl)-1,3-benzoxazole-4,5-dicarboxylic acid O4-(1-methylheptyl) ester O5-phenyl ester Formula: C39H49NO6 MolecularWeight: 627.80946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3C(=O)OC(C)CCCCCC)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3C(=O)OC(C)CCCCCC)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C39H49NO6/c1-4-6-8-10-11-12-13-18-28-43-31-24-22-30(23-25-31)37-40-36-34(46-37)27-26-33(38(41)45-32-20-16-14-17-21-32)35(36)39(42)44-29(3)19-15-9-7-5-2/h14,16-17,20-27,29H,4-13,15,18-19,28H2,1-3H3