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

Systemtic Name: (2S)-1-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[3-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[3-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoyl]proline Formula: C18H19NO6 MolecularWeight: 345.34656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO6/c1-10-12-5-4-11(20)9-15(12)25-18(24)13(10)6-7-16(21)19-8-2-3-14(19)17(22)23/h4-5,9,14,20H,2-3,6-8H2,1H3,(H,22,23)/t14-/m0/s1