(2R)-2-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]butanoate

Systemtic Name: (2R)-2-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]butanoate Openeye Name: (2R)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxo-chromen-3-yl)propanoylamino]butanoate CAS Name: (2R)-2-[[3-(7-hydroxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]butanoate IUPAC Name: (2R)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]butanoate Traditional Name: (2R)-2-[3-(7-hydroxy-2-keto-4,8-dimethyl-chromen-3-yl)propanoylamino]butyrate Formula: C18H20NO6- MolecularWeight: 346.3545

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])NC(=O)CCC1=C(C2=C(C(=C(C=C2)O)C)OC1=O)C

Isomeric SMILES

CC[C@H](C(=O)[O-])NC(=O)CCC1=C(C2=C(C(=C(C=C2)O)C)OC1=O)C

InChI

InChI=1S/C18H21NO6/c1-4-13(17(22)23)19-15(21)8-6-12-9(2)11-5-7-14(20)10(3)16(11)25-18(12)24/h5,7,13,20H,4,6,8H2,1-3H3,(H,19,21)(H,22,23)/p-1/t13-/m1/s1