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

Systemtic Name: (2S)-1-[2-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[2-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[2-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[2-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]proline Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)N3CCCC3C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)N3CCC[C@H]3C(=O)O

InChI

InChI=1S/C17H17NO6/c1-9-11-5-4-10(19)7-14(11)24-17(23)12(9)8-15(20)18-6-2-3-13(18)16(21)22/h4-5,7,13,19H,2-3,6,8H2,1H3,(H,21,22)/t13-/m0/s1