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

Systemtic Name: 1-[4-(butylamino)-3-pyrrol-1-yl-pyridin-2-yl]oxypropan-2-yl 3-methylbutanoate Openeye Name: [2-[[4-(butylamino)-3-pyrrol-1-yl-2-pyridyl]oxy]-1-methyl-ethyl] 3-methylbutanoate CAS Name: 3-methylbutanoic 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 3-methylbutanoate Traditional Name: 3-methylbutyric acid [2-[[4-(butylamino)-3-pyrrol-1-yl-2-pyridyl]oxy]-1-methyl-ethyl] ester Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC=C1)OCC(C)OC(=O)CC(C)C)N2C=CC=C2

Isomeric SMILES

CCCCNC1=C(C(=NC=C1)OCC(C)OC(=O)CC(C)C)N2C=CC=C2

InChI

InChI=1S/C21H31N3O3/c1-5-6-10-22-18-9-11-23-21(20(18)24-12-7-8-13-24)26-15-17(4)27-19(25)14-16(2)3/h7-9,11-13,16-17H,5-6,10,14-15H2,1-4H3,(H,22,23)