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

Systemtic Name: 1-[4-(butylamino)-3-pyrrol-1-yl-pyridin-2-yl]oxypropan-2-yl 4-chloranylbenzoate Openeye Name: [2-[[4-(butylamino)-3-pyrrol-1-yl-2-pyridyl]oxy]-1-methyl-ethyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 1-[[4-(butylamino)-3-(1-pyrrolyl)-2-pyridinyl]oxy]propan-2-yl ester IUPAC Name: 1-[4-(butylamino)-3-pyrrol-1-ylpyridin-2-yl]oxypropan-2-yl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-[[4-(butylamino)-3-pyrrol-1-yl-2-pyridyl]oxy]-1-methyl-ethyl] ester Formula: C23H26ClN3O3 MolecularWeight: 427.92384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC=C1)OCC(C)OC(=O)C2=CC=C(C=C2)Cl)N3C=CC=C3

Isomeric SMILES

CCCCNC1=C(C(=NC=C1)OCC(C)OC(=O)C2=CC=C(C=C2)Cl)N3C=CC=C3

InChI

InChI=1S/C23H26ClN3O3/c1-3-4-12-25-20-11-13-26-22(21(20)27-14-5-6-15-27)29-16-17(2)30-23(28)18-7-9-19(24)10-8-18/h5-11,13-15,17H,3-4,12,16H2,1-2H3,(H,25,26)