(2S)-1-[2-(6-chloranyl-7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[2-(6-chloranyl-7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[2-(6-chloro-7-methoxy-4-methyl-2-oxo-chromen-3-yl)acetyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[2-(6-chloro-7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)acetyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[2-(6-chloro-2-keto-7-methoxy-4-methyl-chromen-3-yl)acetyl]proline Formula: C18H18ClNO6 MolecularWeight: 379.79162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC)CC(=O)N3CCCC3C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC)CC(=O)N3CCC[C@H]3C(=O)O

InChI

InChI=1S/C18H18ClNO6/c1-9-10-6-12(19)15(25-2)8-14(10)26-18(24)11(9)7-16(21)20-5-3-4-13(20)17(22)23/h6,8,13H,3-5,7H2,1-2H3,(H,22,23)/t13-/m0/s1