(7-ethanoylimino-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methyl 3-(2,5-dimethylphenoxy)propanoate

Systemtic Name: (7-ethanoylimino-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methyl 3-(2,5-dimethylphenoxy)propanoate Openeye Name: (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl 3-(2,5-dimethylphenoxy)propanoate CAS Name: 3-(2,5-dimethylphenoxy)propanoic acid (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydro-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl 3-(2,5-dimethylphenoxy)propanoate Traditional Name: 3-(2,5-dimethylphenoxy)propionic acid (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl ester Formula: C23H27NO6 MolecularWeight: 413.46358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCC(=O)OCC2=C3CCC(=NC(=O)C)CC3OC(=C2)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCC(=O)OCC2=C3CCC(=NC(=O)C)CC3OC(=C2)O

InChI

InChI=1S/C23H27NO6/c1-14-4-5-15(2)20(10-14)28-9-8-22(26)29-13-17-11-23(27)30-21-12-18(24-16(3)25)6-7-19(17)21/h4-5,10-11,21,27H,6-9,12-13H2,1-3H3