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

Systemtic Name: ethyl (2S)-2-(2,2-dimethylpropoxycarbonylamino)-3-[4-oxidanylidene-2-(3-oxidanylpropyl)chromen-6-yl]propanoate Openeye Name: ethyl (2S)-2-(2,2-dimethylpropoxycarbonylamino)-3-[2-(3-hydroxypropyl)-4-oxo-chromen-6-yl]propanoate CAS Name: (2S)-2-[[2,2-dimethylpropoxy(oxo)methyl]amino]-3-[2-(3-hydroxypropyl)-4-oxo-1-benzopyran-6-yl]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(2,2-dimethylpropoxycarbonylamino)-3-[2-(3-hydroxypropyl)-4-oxochromen-6-yl]propanoate Traditional Name: (2S)-3-[2-(3-hydroxypropyl)-4-keto-chromen-6-yl]-2-(neopentyloxycarbonylamino)propionic acid ethyl ester Formula: C23H31NO7 MolecularWeight: 433.49474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=C(C=C1)OC(=CC2=O)CCCO)NC(=O)OCC(C)(C)C

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC2=C(C=C1)OC(=CC2=O)CCCO)NC(=O)OCC(C)(C)C

InChI

InChI=1S/C23H31NO7/c1-5-29-21(27)18(24-22(28)30-14-23(2,3)4)12-15-8-9-20-17(11-15)19(26)13-16(31-20)7-6-10-25/h8-9,11,13,18,25H,5-7,10,12,14H2,1-4H3,(H,24,28)/t18-/m0/s1