methyl 2-[4-[1-azanyl-1-(3-bromophenyl)-3-methyl-1-oxidanyl-butan-2-yl]oxyphenyl]ethanoate

Systemtic Name: methyl 2-[4-[1-azanyl-1-(3-bromophenyl)-3-methyl-1-oxidanyl-butan-2-yl]oxyphenyl]ethanoate Openeye Name: methyl 2-[4-[1-[amino-(3-bromophenyl)-hydroxy-methyl]-2-methyl-propoxy]phenyl]acetate CAS Name: 2-[4-[1-amino-1-(3-bromophenyl)-1-hydroxy-3-methylbutan-2-yl]oxyphenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[1-amino-1-(3-bromophenyl)-1-hydroxy-3-methylbutan-2-yl]oxyphenyl]acetate Traditional Name: 2-[4-[1-[amino-(3-bromophenyl)-hydroxy-methyl]-2-methyl-propoxy]phenyl]acetic acid methyl ester Formula: C20H24BrNO4 MolecularWeight: 422.31286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C1=CC(=CC=C1)Br)(N)O)OC2=CC=C(C=C2)CC(=O)OC

Isomeric SMILES

CC(C)C(C(C1=CC(=CC=C1)Br)(N)O)OC2=CC=C(C=C2)CC(=O)OC

InChI

InChI=1S/C20H24BrNO4/c1-13(2)19(20(22,24)15-5-4-6-16(21)12-15)26-17-9-7-14(8-10-17)11-18(23)25-3/h4-10,12-13,19,24H,11,22H2,1-3H3