(2S)-2-[2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[2-(4-butyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[(4-butyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[2-(4-butyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(4-butyl-2-keto-chromen-7-yl)oxyacetyl]amino]-3-phenyl-propionate Formula: C24H24NO6- MolecularWeight: 422.45046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C24H25NO6/c1-2-3-9-17-13-23(27)31-21-14-18(10-11-19(17)21)30-15-22(26)25-20(24(28)29)12-16-7-5-4-6-8-16/h4-8,10-11,13-14,20H,2-3,9,12,15H2,1H3,(H,25,26)(H,28,29)/p-1/t20-/m0/s1