methyl 1-(2-bromanyloctanoyl)-4-phenoxy-pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-(2-bromanyloctanoyl)-4-phenoxy-pyrrolidine-2-carboxylate Openeye Name: methyl 1-(2-bromooctanoyl)-4-phenoxy-pyrrolidine-2-carboxylate CAS Name: 1-(2-bromo-1-oxooctyl)-4-phenoxy-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-bromooctanoyl)-4-phenoxypyrrolidine-2-carboxylate Traditional Name: 1-(2-bromooctanoyl)-4-phenoxy-pyrrolidine-2-carboxylic acid methyl ester Formula: C20H28BrNO4 MolecularWeight: 426.34462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)N1CC(CC1C(=O)OC)OC2=CC=CC=C2)Br

Isomeric SMILES

CCCCCCC(C(=O)N1CC(CC1C(=O)OC)OC2=CC=CC=C2)Br

InChI

InChI=1S/C20H28BrNO4/c1-3-4-5-9-12-17(21)19(23)22-14-16(13-18(22)20(24)25-2)26-15-10-7-6-8-11-15/h6-8,10-11,16-18H,3-5,9,12-14H2,1-2H3