1-[4-(butylamino)-3-ethanoyl-pyridin-2-yl]oxypropan-2-yl 4-methoxybenzoate

Systemtic Name: 1-[4-(butylamino)-3-ethanoyl-pyridin-2-yl]oxypropan-2-yl 4-methoxybenzoate Openeye Name: [2-[[3-acetyl-4-(butylamino)-2-pyridyl]oxy]-1-methyl-ethyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid 1-[[3-acetyl-4-(butylamino)-2-pyridinyl]oxy]propan-2-yl ester IUPAC Name: 1-[3-acetyl-4-(butylamino)pyridin-2-yl]oxypropan-2-yl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-[[3-acetyl-4-(butylamino)-2-pyridyl]oxy]-1-methyl-ethyl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5/c1-5-6-12-23-19-11-13-24-21(20(19)16(3)25)28-14-15(2)29-22(26)17-7-9-18(27-4)10-8-17/h7-11,13,15H,5-6,12,14H2,1-4H3,(H,23,24)