methyl 2-[4-[4-azanyl-4-(3-bromophenyl)-2-methyl-4-oxidanyl-butoxy]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[4-azanyl-4-(3-bromophenyl)-2-methyl-4-oxidanyl-butoxy]phenyl]ethanoate Openeye Name: methyl 2-[4-[4-amino-4-(3-bromophenyl)-4-hydroxy-2-methyl-butoxy]phenyl]acetate CAS Name: 2-[4-[4-amino-4-(3-bromophenyl)-4-hydroxy-2-methylbutoxy]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[4-amino-4-(3-bromophenyl)-4-hydroxy-2-methylbutoxy]phenyl]acetate Traditional Name: 2-[4-[4-amino-4-(3-bromophenyl)-4-hydroxy-2-methyl-butoxy]phenyl]acetic acid methyl ester Formula: C20H24BrNO4 MolecularWeight: 422.31286

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CC(=CC=C1)Br)(N)O)COC2=CC=C(C=C2)CC(=O)OC

Isomeric SMILES

CC(CC(C1=CC(=CC=C1)Br)(N)O)COC2=CC=C(C=C2)CC(=O)OC

InChI

InChI=1S/C20H24BrNO4/c1-14(12-20(22,24)16-4-3-5-17(21)11-16)13-26-18-8-6-15(7-9-18)10-19(23)25-2/h3-9,11,14,24H,10,12-13,22H2,1-2H3