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

Systemtic Name: (2R)-2-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]butanoate Openeye Name: (2R)-2-[3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]butanoate CAS Name: (2R)-2-[[3-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]butanoate IUPAC Name: (2R)-2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]butanoate Traditional Name: (2R)-2-[3-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]butyrate Formula: C17H18NO6- MolecularWeight: 332.32792

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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)OC1=O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO6/c1-3-13(16(21)22)18-15(20)7-6-12-9(2)11-5-4-10(19)8-14(11)24-17(12)23/h4-5,8,13,19H,3,6-7H2,1-2H3,(H,18,20)(H,21,22)/p-1/t13-/m1/s1