3-(3,5-dimethylphenoxy)-4-oxidanylidene-8-(pyrrolidin-1-ylmethyl)chromen-7-olate

Systemtic Name: 3-(3,5-dimethylphenoxy)-4-oxidanylidene-8-(pyrrolidin-1-ylmethyl)chromen-7-olate Openeye Name: 3-(3,5-dimethylphenoxy)-4-oxo-8-(pyrrolidin-1-ylmethyl)chromen-7-olate CAS Name: 3-(3,5-dimethylphenoxy)-4-oxo-8-(1-pyrrolidinylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(3,5-dimethylphenoxy)-4-oxo-8-(pyrrolidin-1-ylmethyl)chromen-7-olate Traditional Name: 3-(3,5-dimethylphenoxy)-4-keto-8-(pyrrolidinomethyl)chromen-7-olate Formula: C22H22NO4- MolecularWeight: 364.41438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3CN4CCCC4)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3CN4CCCC4)[O-])C

InChI

InChI=1S/C22H23NO4/c1-14-9-15(2)11-16(10-14)27-20-13-26-22-17(21(20)25)5-6-19(24)18(22)12-23-7-3-4-8-23/h5-6,9-11,13,24H,3-4,7-8,12H2,1-2H3/p-1