3-[(3-azanyl-4-oxidanyl-phenyl)methyl]-5-(4-methyl-3-pyrrolidin-1-yl-phenyl)oxan-2-one

Systemtic Name: 3-[(3-azanyl-4-oxidanyl-phenyl)methyl]-5-(4-methyl-3-pyrrolidin-1-yl-phenyl)oxan-2-one Openeye Name: 3-[(3-amino-4-hydroxy-phenyl)methyl]-5-(4-methyl-3-pyrrolidin-1-yl-phenyl)tetrahydropyran-2-one CAS Name: 3-[(3-amino-4-hydroxyphenyl)methyl]-5-[4-methyl-3-(1-pyrrolidinyl)phenyl]-2-oxanone IUPAC Name: 3-[(3-amino-4-hydroxyphenyl)methyl]-5-(4-methyl-3-pyrrolidin-1-ylphenyl)oxan-2-one Traditional Name: 3-(3-amino-4-hydroxy-benzyl)-5-(4-methyl-3-pyrrolidino-phenyl)tetrahydropyran-2-one Formula: C23H28N2O3 MolecularWeight: 380.48002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2CC(C(=O)OC2)CC3=CC(=C(C=C3)O)N)N4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C2CC(C(=O)OC2)CC3=CC(=C(C=C3)O)N)N4CCCC4

InChI

InChI=1S/C23H28N2O3/c1-15-4-6-17(13-21(15)25-8-2-3-9-25)19-12-18(23(27)28-14-19)10-16-5-7-22(26)20(24)11-16/h4-7,11,13,18-19,26H,2-3,8-10,12,14,24H2,1H3