3-[[1-[2-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoyl]piperidin-4-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[1-[2-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoyl]piperidin-4-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]piperidine-4-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]-4-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-[2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]piperidine-4-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-[2-(6-chloro-7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]isonipecotoyl]amino]propionic acid Formula: C21H23ClN2O7 MolecularWeight: 450.86952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)N3CCC(CC3)C(=O)NCCC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)N3CCC(CC3)C(=O)NCCC(=O)O

InChI

InChI=1S/C21H23ClN2O7/c1-11-13-8-15(22)16(25)10-17(13)31-21(30)14(11)9-18(26)24-6-3-12(4-7-24)20(29)23-5-2-19(27)28/h8,10,12,25H,2-7,9H2,1H3,(H,23,29)(H,27,28)