(2S)-2-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoylamino]propanoic acid

Systemtic Name: (2S)-2-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoylamino]propanoic acid Openeye Name: (2S)-2-[3-(7-methoxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]propanoic acid CAS Name: (2S)-2-[[3-(7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]propanoic acid IUPAC Name: (2S)-2-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid Traditional Name: (2S)-2-[3-(2-keto-7-methoxy-4-methyl-chromen-3-yl)propanoylamino]propionic acid Formula: C17H19NO6 MolecularWeight: 333.33586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)NC(C)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N[C@@H](C)C(=O)O

InChI

InChI=1S/C17H19NO6/c1-9-12-5-4-11(23-3)8-14(12)24-17(22)13(9)6-7-15(19)18-10(2)16(20)21/h4-5,8,10H,6-7H2,1-3H3,(H,18,19)(H,20,21)/t10-/m0/s1