4-[6-[[3-acetyloxy-3-(propylamino)propyl]amino]-3-cyano-4-methyl-pyridin-2-yl]oxybutyl ethanoate

Systemtic Name: 4-[6-[[3-acetyloxy-3-(propylamino)propyl]amino]-3-cyano-4-methyl-pyridin-2-yl]oxybutyl ethanoate Openeye Name: 4-[[6-[[3-acetoxy-3-(propylamino)propyl]amino]-3-cyano-4-methyl-2-pyridyl]oxy]butyl acetate CAS Name: acetic acid 4-[[6-[[3-acetyloxy-3-(propylamino)propyl]amino]-3-cyano-4-methyl-2-pyridinyl]oxy]butyl ester IUPAC Name: 4-[6-[[3-acetyloxy-3-(propylamino)propyl]amino]-3-cyano-4-methylpyridin-2-yl]oxybutyl acetate Traditional Name: acetic acid 4-[[6-[[3-acetoxy-3-(propylamino)propyl]amino]-3-cyano-4-methyl-2-pyridyl]oxy]butyl ester Formula: C21H32N4O5 MolecularWeight: 420.50258

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(CCNC1=NC(=C(C(=C1)C)C#N)OCCCCOC(=O)C)OC(=O)C

Isomeric SMILES

CCCNC(CCNC1=NC(=C(C(=C1)C)C#N)OCCCCOC(=O)C)OC(=O)C

InChI

InChI=1S/C21H32N4O5/c1-5-9-24-20(30-17(4)27)8-10-23-19-13-15(2)18(14-22)21(25-19)29-12-7-6-11-28-16(3)26/h13,20,24H,5-12H2,1-4H3,(H,23,25)