(2S)-2-[2-(4-bromanylphenoxy)ethyl-methyl-amino]-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)propan-1-one

Systemtic Name: (2S)-2-[2-(4-bromanylphenoxy)ethyl-methyl-amino]-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)propan-1-one Openeye Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[2-(4-bromophenoxy)ethyl-methyl-amino]propan-1-one CAS Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[2-(4-bromophenoxy)ethyl-methylamino]-1-propanone IUPAC Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[2-(4-bromophenoxy)ethyl-methylamino]propan-1-one Traditional Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[2-(4-bromophenoxy)ethyl-methyl-amino]propan-1-one Formula: C20H25BrN2O3 MolecularWeight: 421.3281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)N(C)CCOC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)N(C)CCOC2=CC=C(C=C2)Br

InChI

InChI=1S/C20H25BrN2O3/c1-12-18(15(4)24)13(2)22-19(12)20(25)14(3)23(5)10-11-26-17-8-6-16(21)7-9-17/h6-9,14,22H,10-11H2,1-5H3/t14-/m0/s1