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

Systemtic Name: (7-ethanoylimino-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methyl (3R)-3-acetamido-3-(4-methylphenyl)propanoate Openeye Name: (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl (3R)-3-acetamido-3-(p-tolyl)propanoate CAS Name: (3R)-3-acetamido-3-(4-methylphenyl)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 (3R)-3-acetamido-3-(4-methylphenyl)propanoate Traditional Name: (3R)-3-acetamido-3-(p-tolyl)propionic acid (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl ester Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](CC(=O)OCC2=C3CCC(=NC(=O)C)CC3OC(=C2)O)NC(=O)C

InChI

InChI=1S/C24H28N2O6/c1-14-4-6-17(7-5-14)21(26-16(3)28)12-23(29)31-13-18-10-24(30)32-22-11-19(25-15(2)27)8-9-20(18)22/h4-7,10,21-22,30H,8-9,11-13H2,1-3H3,(H,26,28)/t21-,22?/m1/s1