2-[[3-[[2-bromanyl-5-(1-methoxyethoxy)phenyl]methyl]pyrrolidin-1-yl]methyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 2-[[3-[[2-bromanyl-5-(1-methoxyethoxy)phenyl]methyl]pyrrolidin-1-yl]methyl]-4H-1,4-benzoxazin-3-one Openeye Name: 2-[[3-[[2-bromo-5-(1-methoxyethoxy)phenyl]methyl]pyrrolidin-1-yl]methyl]-4H-1,4-benzoxazin-3-one CAS Name: 2-[[3-[[2-bromo-5-(1-methoxyethoxy)phenyl]methyl]-1-pyrrolidinyl]methyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 2-[[3-[[2-bromo-5-(1-methoxyethoxy)phenyl]methyl]pyrrolidin-1-yl]methyl]-4H-1,4-benzoxazin-3-one Traditional Name: 2-[[3-[2-bromo-5-(1-methoxyethoxy)benzyl]pyrrolidino]methyl]-4H-1,4-benzoxazin-3-one Formula: C23H27BrN2O4 MolecularWeight: 475.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC)OC1=CC(=C(C=C1)Br)CC2CCN(C2)CC3C(=O)NC4=CC=CC=C4O3

Isomeric SMILES

CC(OC)OC1=CC(=C(C=C1)Br)CC2CCN(C2)CC3C(=O)NC4=CC=CC=C4O3

InChI

InChI=1S/C23H27BrN2O4/c1-15(28-2)29-18-7-8-19(24)17(12-18)11-16-9-10-26(13-16)14-22-23(27)25-20-5-3-4-6-21(20)30-22/h3-8,12,15-16,22H,9-11,13-14H2,1-2H3,(H,25,27)