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

Systemtic Name: (2R)-2-[2-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]butanoate Openeye Name: (2R)-2-[[2-(7-hydroxy-4,8-dimethyl-2-oxo-chromen-3-yl)acetyl]amino]butanoate CAS Name: (2R)-2-[[2-(7-hydroxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]butanoate IUPAC Name: (2R)-2-[[2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)acetyl]amino]butanoate Traditional Name: (2R)-2-[[2-(7-hydroxy-2-keto-4,8-dimethyl-chromen-3-yl)acetyl]amino]butyrate Formula: C17H18NO6- MolecularWeight: 332.32792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])NC(=O)CC1=C(C2=C(C(=C(C=C2)O)C)OC1=O)C

Isomeric SMILES

CC[C@H](C(=O)[O-])NC(=O)CC1=C(C2=C(C(=C(C=C2)O)C)OC1=O)C

InChI

InChI=1S/C17H19NO6/c1-4-12(16(21)22)18-14(20)7-11-8(2)10-5-6-13(19)9(3)15(10)24-17(11)23/h5-6,12,19H,4,7H2,1-3H3,(H,18,20)(H,21,22)/p-1/t12-/m1/s1