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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO6/c1-4-14(17(21)22)19-16(20)8-7-13-10(2)12-6-5-11(24-3)9-15(12)25-18(13)23/h5-6,9,14H,4,7-8H2,1-3H3,(H,19,20)(H,21,22)/p-1/t14-/m1/s1