(2S)-2-[2-[4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxyethanoylamino]propanoate

Systemtic Name: (2S)-2-[2-[4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxyethanoylamino]propanoate Openeye Name: (2S)-2-[[2-(3-benzyl-4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]propanoate CAS Name: (2S)-2-[[2-[[4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]propanoate IUPAC Name: (2S)-2-[[2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]propanoate Traditional Name: (2S)-2-[[2-(3-benzyl-2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]propionate Formula: C22H20NO6- MolecularWeight: 394.3973

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NC(C)C(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@@H](C)C(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C22H21NO6/c1-13-17-9-8-16(28-12-20(24)23-14(2)21(25)26)11-19(17)29-22(27)18(13)10-15-6-4-3-5-7-15/h3-9,11,14H,10,12H2,1-2H3,(H,23,24)(H,25,26)/p-1/t14-/m0/s1