2-(2,2-dimethylpropoxycarbonylamino)-3-[4-oxidanylidene-2-(3-oxidanylpropyl)chromen-6-yl]propanoate

Systemtic Name: 2-(2,2-dimethylpropoxycarbonylamino)-3-[4-oxidanylidene-2-(3-oxidanylpropyl)chromen-6-yl]propanoate Openeye Name: 2-(2,2-dimethylpropoxycarbonylamino)-3-[2-(3-hydroxypropyl)-4-oxo-chromen-6-yl]propanoate CAS Name: 2-[[2,2-dimethylpropoxy(oxo)methyl]amino]-3-[2-(3-hydroxypropyl)-4-oxo-1-benzopyran-6-yl]propanoate IUPAC Name: 2-(2,2-dimethylpropoxycarbonylamino)-3-[2-(3-hydroxypropyl)-4-oxochromen-6-yl]propanoate Traditional Name: 3-[2-(3-hydroxypropyl)-4-keto-chromen-6-yl]-2-(neopentyloxycarbonylamino)propionate Formula: C21H26NO7- MolecularWeight: 404.43364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)NC(CC1=CC2=C(C=C1)OC(=CC2=O)CCCO)C(=O)[O-]

Isomeric SMILES

CC(C)(C)COC(=O)NC(CC1=CC2=C(C=C1)OC(=CC2=O)CCCO)C(=O)[O-]

InChI

InChI=1S/C21H27NO7/c1-21(2,3)12-28-20(27)22-16(19(25)26)10-13-6-7-18-15(9-13)17(24)11-14(29-18)5-4-8-23/h6-7,9,11,16,23H,4-5,8,10,12H2,1-3H3,(H,22,27)(H,25,26)/p-1