(2S)-2-[2-(6-chloranyl-7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]propanoic acid

Systemtic Name: (2S)-2-[2-(6-chloranyl-7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]propanoic acid Openeye Name: (2S)-2-[[2-(6-chloro-7-methoxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]propanoic acid CAS Name: (2S)-2-[[2-(6-chloro-7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]propanoic acid Traditional Name: (2S)-2-[[2-(6-chloro-2-keto-7-methoxy-4-methyl-chromen-3-yl)acetyl]amino]propionic acid Formula: C16H16ClNO6 MolecularWeight: 353.75434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC)CC(=O)NC(C)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC)CC(=O)N[C@@H](C)C(=O)O

InChI

InChI=1S/C16H16ClNO6/c1-7-9-4-11(17)13(23-3)6-12(9)24-16(22)10(7)5-14(19)18-8(2)15(20)21/h4,6,8H,5H2,1-3H3,(H,18,19)(H,20,21)/t8-/m0/s1