[1-(3-pentanoylpyridin-2-yl)oxy-3-(propan-2-ylamino)propan-2-yl] 2-bromanyl-4-methyl-benzoate

Systemtic Name: [1-(3-pentanoylpyridin-2-yl)oxy-3-(propan-2-ylamino)propan-2-yl] 2-bromanyl-4-methyl-benzoate Openeye Name: [1-[(isopropylamino)methyl]-2-[(3-pentanoyl-2-pyridyl)oxy]ethyl] 2-bromo-4-methyl-benzoate CAS Name: 2-bromo-4-methylbenzoic acid [1-[[3-(1-oxopentyl)-2-pyridinyl]oxy]-3-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-(3-pentanoylpyridin-2-yl)oxy-3-(propan-2-ylamino)propan-2-yl] 2-bromo-4-methylbenzoate Traditional Name: 2-bromo-4-methyl-benzoic acid [1-[(isopropylamino)methyl]-2-[(3-valeryl-2-pyridyl)oxy]ethyl] ester Formula: C24H31BrN2O4 MolecularWeight: 491.41794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(N=CC=C1)OCC(CNC(C)C)OC(=O)C2=C(C=C(C=C2)C)Br

Isomeric SMILES

CCCCC(=O)C1=C(N=CC=C1)OCC(CNC(C)C)OC(=O)C2=C(C=C(C=C2)C)Br

InChI

InChI=1S/C24H31BrN2O4/c1-5-6-9-22(28)20-8-7-12-26-23(20)30-15-18(14-27-16(2)3)31-24(29)19-11-10-17(4)13-21(19)25/h7-8,10-13,16,18,27H,5-6,9,14-15H2,1-4H3