methyl 4-[2-[[2-(3-bromophenyl)-2-oxidanyl-ethyl]amino]propyl]benzoate

Systemtic Name: methyl 4-[2-[[2-(3-bromophenyl)-2-oxidanyl-ethyl]amino]propyl]benzoate Openeye Name: methyl 4-[2-[[2-(3-bromophenyl)-2-hydroxy-ethyl]amino]propyl]benzoate CAS Name: 4-[2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]propyl]benzoate Traditional Name: 4-[2-[[2-(3-bromophenyl)-2-hydroxy-ethyl]amino]propyl]benzoic acid methyl ester Formula: C19H22BrNO3 MolecularWeight: 392.28688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(=O)OC)NCC(C2=CC(=CC=C2)Br)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(=O)OC)NCC(C2=CC(=CC=C2)Br)O

InChI

InChI=1S/C19H22BrNO3/c1-13(10-14-6-8-15(9-7-14)19(23)24-2)21-12-18(22)16-4-3-5-17(20)11-16/h3-9,11,13,18,21-22H,10,12H2,1-2H3