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

Systemtic Name: 1-[4-(butylamino)-3-pyrrol-1-yl-pyridin-2-yl]oxypropan-2-yl ethanoate Openeye Name: [2-[[4-(butylamino)-3-pyrrol-1-yl-2-pyridyl]oxy]-1-methyl-ethyl] acetate CAS Name: acetic 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 acetate Traditional Name: acetic acid [2-[[4-(butylamino)-3-pyrrol-1-yl-2-pyridyl]oxy]-1-methyl-ethyl] ester Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3/c1-4-5-9-19-16-8-10-20-18(17(16)21-11-6-7-12-21)23-13-14(2)24-15(3)22/h6-8,10-12,14H,4-5,9,13H2,1-3H3,(H,19,20)