6-[2-[2-[1-(2-methoxy-5-methyl-phenyl)ethyl]pyrrol-1-yl]ethyl]-4-oxidanyl-oxan-2-one

Systemtic Name: 6-[2-[2-[1-(2-methoxy-5-methyl-phenyl)ethyl]pyrrol-1-yl]ethyl]-4-oxidanyl-oxan-2-one Openeye Name: 4-hydroxy-6-[2-[2-[1-(2-methoxy-5-methyl-phenyl)ethyl]pyrrol-1-yl]ethyl]tetrahydropyran-2-one CAS Name: 4-hydroxy-6-[2-[2-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyrrolyl]ethyl]-2-oxanone IUPAC Name: 4-hydroxy-6-[2-[2-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrol-1-yl]ethyl]oxan-2-one Traditional Name: 4-hydroxy-6-[2-[2-[1-(2-methoxy-5-methyl-phenyl)ethyl]pyrrol-1-yl]ethyl]tetrahydropyran-2-one Formula: C21H27NO4 MolecularWeight: 357.44338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(C)C2=CC=CN2CCC3CC(CC(=O)O3)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(C)C2=CC=CN2CCC3CC(CC(=O)O3)O

InChI

InChI=1S/C21H27NO4/c1-14-6-7-20(25-3)18(11-14)15(2)19-5-4-9-22(19)10-8-17-12-16(23)13-21(24)26-17/h4-7,9,11,15-17,23H,8,10,12-13H2,1-3H3