1-[4-(butylamino)-3-cyano-5-pyrrol-1-yl-pyridin-2-yl]oxypropan-2-yl 4-chloranylbenzoate

Systemtic Name: 1-[4-(butylamino)-3-cyano-5-pyrrol-1-yl-pyridin-2-yl]oxypropan-2-yl 4-chloranylbenzoate Openeye Name: [2-[[4-(butylamino)-3-cyano-5-pyrrol-1-yl-2-pyridyl]oxy]-1-methyl-ethyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 1-[[4-(butylamino)-3-cyano-5-(1-pyrrolyl)-2-pyridinyl]oxy]propan-2-yl ester IUPAC Name: 1-[4-(butylamino)-3-cyano-5-pyrrol-1-ylpyridin-2-yl]oxypropan-2-yl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-[[4-(butylamino)-3-cyano-5-pyrrol-1-yl-2-pyridyl]oxy]-1-methyl-ethyl] ester Formula: C24H25ClN4O3 MolecularWeight: 452.9333

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC=C1N2C=CC=C2)OCC(C)OC(=O)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CCCCNC1=C(C(=NC=C1N2C=CC=C2)OCC(C)OC(=O)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C24H25ClN4O3/c1-3-4-11-27-22-20(14-26)23(28-15-21(22)29-12-5-6-13-29)31-16-17(2)32-24(30)18-7-9-19(25)10-8-18/h5-10,12-13,15,17H,3-4,11,16H2,1-2H3,(H,27,28)