(2S)-2-[2-[6-chloranyl-4-methyl-7-(3-methylbut-2-enoxy)-2-oxidanylidene-chromen-3-yl]ethanoylamino]propanoate

Systemtic Name: (2S)-2-[2-[6-chloranyl-4-methyl-7-(3-methylbut-2-enoxy)-2-oxidanylidene-chromen-3-yl]ethanoylamino]propanoate Openeye Name: (2S)-2-[[2-[6-chloro-4-methyl-7-(3-methylbut-2-enoxy)-2-oxo-chromen-3-yl]acetyl]amino]propanoate CAS Name: (2S)-2-[[2-[6-chloro-4-methyl-7-(3-methylbut-2-enoxy)-2-oxo-1-benzopyran-3-yl]-1-oxoethyl]amino]propanoate IUPAC Name: (2S)-2-[[2-[6-chloro-4-methyl-7-(3-methylbut-2-enoxy)-2-oxochromen-3-yl]acetyl]amino]propanoate Traditional Name: (2S)-2-[[2-[6-chloro-2-keto-4-methyl-7-(3-methylbut-2-enoxy)chromen-3-yl]acetyl]amino]propionate Formula: C20H21ClNO6- MolecularWeight: 406.83684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC=C(C)C)CC(=O)NC(C)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC=C(C)C)CC(=O)N[C@@H](C)C(=O)[O-]

InChI

InChI=1S/C20H22ClNO6/c1-10(2)5-6-27-17-9-16-13(7-15(17)21)11(3)14(20(26)28-16)8-18(23)22-12(4)19(24)25/h5,7,9,12H,6,8H2,1-4H3,(H,22,23)(H,24,25)/p-1/t12-/m0/s1