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

Systemtic Name: (2S)-2-[2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]propanoic acid Openeye Name: (2S)-2-[2-(4-butyl-2-oxo-chromen-7-yl)oxypropanoylamino]propanoic acid CAS Name: (2S)-2-[[2-[(4-butyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]propanoic acid IUPAC Name: (2S)-2-[2-(4-butyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid Traditional Name: (2S)-2-[2-(4-butyl-2-keto-chromen-7-yl)oxypropanoylamino]propionic acid Formula: C19H23NO6 MolecularWeight: 361.38902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(C)C(=O)O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)N[C@@H](C)C(=O)O

InChI

InChI=1S/C19H23NO6/c1-4-5-6-13-9-17(21)26-16-10-14(7-8-15(13)16)25-12(3)18(22)20-11(2)19(23)24/h7-12H,4-6H2,1-3H3,(H,20,22)(H,23,24)/t11-,12?/m0/s1