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

Systemtic Name: 1-[4-(butylamino)-3-cyano-pyridin-2-yl]oxypropan-2-yl 4-methoxybenzoate Openeye Name: [2-[[4-(butylamino)-3-cyano-2-pyridyl]oxy]-1-methyl-ethyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid 1-[[4-(butylamino)-3-cyano-2-pyridinyl]oxy]propan-2-yl ester IUPAC Name: 1-[4-(butylamino)-3-cyanopyridin-2-yl]oxypropan-2-yl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-[[4-(butylamino)-3-cyano-2-pyridyl]oxy]-1-methyl-ethyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4/c1-4-5-11-23-19-10-12-24-20(18(19)13-22)27-14-15(2)28-21(25)16-6-8-17(26-3)9-7-16/h6-10,12,15H,4-5,11,14H2,1-3H3,(H,23,24)