(2S)-1-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[3-(7-hydroxy-4,8-dimethyl-2-oxo-chromen-3-yl)propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[3-(7-hydroxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[3-(7-hydroxy-2-keto-4,8-dimethyl-chromen-3-yl)propanoyl]pyrrolidine-2-carboxylate Formula: C19H20NO6- MolecularWeight: 358.3652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)N3CCCC3C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)N3CCC[C@H]3C(=O)[O-]

InChI

InChI=1S/C19H21NO6/c1-10-12-5-7-15(21)11(2)17(12)26-19(25)13(10)6-8-16(22)20-9-3-4-14(20)18(23)24/h5,7,14,21H,3-4,6,8-9H2,1-2H3,(H,23,24)/p-1/t14-/m0/s1