4-(4-methoxyphenyl)-8-methyl-7-oxidanyl-6-(pyrrolidin-1-ylmethyl)chromen-2-one

Systemtic Name: 4-(4-methoxyphenyl)-8-methyl-7-oxidanyl-6-(pyrrolidin-1-ylmethyl)chromen-2-one Openeye Name: 7-hydroxy-4-(4-methoxyphenyl)-8-methyl-6-(pyrrolidin-1-ylmethyl)chromen-2-one CAS Name: 7-hydroxy-4-(4-methoxyphenyl)-8-methyl-6-(1-pyrrolidinylmethyl)-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-(4-methoxyphenyl)-8-methyl-6-(pyrrolidin-1-ylmethyl)chromen-2-one Traditional Name: 7-hydroxy-4-(4-methoxyphenyl)-8-methyl-6-(pyrrolidinomethyl)coumarin Formula: C22H23NO4 MolecularWeight: 365.42232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1O)CN3CCCC3)C(=CC(=O)O2)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C2C(=CC(=C1O)CN3CCCC3)C(=CC(=O)O2)C4=CC=C(C=C4)OC

InChI

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