(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(4-tert-butylphenyl)carbonylamino]propanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 3-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: 3-[(4-tert-butylbenzoyl)amino]propionic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C26H29NO5 MolecularWeight: 435.51216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNC(=O)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNC(=O)C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C26H29NO5/c1-16-6-11-21-19(14-23(29)32-24(21)17(16)2)15-31-22(28)12-13-27-25(30)18-7-9-20(10-8-18)26(3,4)5/h6-11,14H,12-13,15H2,1-5H3,(H,27,30)