[1-(3-cyano-5-pyrrol-1-yl-pyridin-2-yl)oxy-3-(propan-2-ylamino)propan-2-yl] 2-bromanyl-4-methyl-benzoate

Systemtic Name: [1-(3-cyano-5-pyrrol-1-yl-pyridin-2-yl)oxy-3-(propan-2-ylamino)propan-2-yl] 2-bromanyl-4-methyl-benzoate Openeye Name: [1-[(3-cyano-5-pyrrol-1-yl-2-pyridyl)oxymethyl]-2-(isopropylamino)ethyl] 2-bromo-4-methyl-benzoate CAS Name: 2-bromo-4-methylbenzoic acid [1-[[3-cyano-5-(1-pyrrolyl)-2-pyridinyl]oxy]-3-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-(3-cyano-5-pyrrol-1-ylpyridin-2-yl)oxy-3-(propan-2-ylamino)propan-2-yl] 2-bromo-4-methylbenzoate Traditional Name: 2-bromo-4-methyl-benzoic acid [1-[(3-cyano-5-pyrrol-1-yl-2-pyridyl)oxymethyl]-2-(isopropylamino)ethyl] ester Formula: C24H25BrN4O3 MolecularWeight: 497.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OC(CNC(C)C)COC2=NC=C(C=C2C#N)N3C=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OC(CNC(C)C)COC2=NC=C(C=C2C#N)N3C=CC=C3)Br

InChI

InChI=1S/C24H25BrN4O3/c1-16(2)27-14-20(32-24(30)21-7-6-17(3)10-22(21)25)15-31-23-18(12-26)11-19(13-28-23)29-8-4-5-9-29/h4-11,13,16,20,27H,14-15H2,1-3H3