(2S)-2-[2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]propanoic acid

Systemtic Name: (2S)-2-[2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]propanoic acid Openeye Name: (2S)-2-[2-(4-butyl-8-methyl-2-oxo-chromen-7-yl)oxypropanoylamino]propanoic acid CAS Name: (2S)-2-[[2-[(4-butyl-8-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]propanoic acid IUPAC Name: (2S)-2-[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid Traditional Name: (2S)-2-[2-(4-butyl-2-keto-8-methyl-chromen-7-yl)oxypropanoylamino]propionic acid Formula: C20H25NO6 MolecularWeight: 375.4156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(C)C(=O)O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)N[C@@H](C)C(=O)O

InChI

InChI=1S/C20H25NO6/c1-5-6-7-14-10-17(22)27-18-11(2)16(9-8-15(14)18)26-13(4)19(23)21-12(3)20(24)25/h8-10,12-13H,5-7H2,1-4H3,(H,21,23)(H,24,25)/t12-,13?/m0/s1