propyl 5-cyano-2-[2-(dimethylamino)ethanoyloxymethyl]-3-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: propyl 5-cyano-2-[2-(dimethylamino)ethanoyloxymethyl]-3-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: propyl 5-cyano-2-[[2-(dimethylamino)acetyl]oxymethyl]-3-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 5-cyano-2-[[2-(dimethylamino)-1-oxoethoxy]methyl]-3-(1,2,4-triazol-1-ylmethyl)benzoic acid propyl ester IUPAC Name: propyl 5-cyano-2-[[2-(dimethylamino)acetyl]oxymethyl]-3-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 5-cyano-2-[[2-(dimethylamino)acetyl]oxymethyl]-3-(1,2,4-triazol-1-ylmethyl)benzoic acid propyl ester Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C(=CC(=C1)C#N)CN2C=NC=N2)COC(=O)CN(C)C

Isomeric SMILES

CCCOC(=O)C1=C(C(=CC(=C1)C#N)CN2C=NC=N2)COC(=O)CN(C)C

InChI

InChI=1S/C19H23N5O4/c1-4-5-27-19(26)16-7-14(8-20)6-15(9-24-13-21-12-22-24)17(16)11-28-18(25)10-23(2)3/h6-7,12-13H,4-5,9-11H2,1-3H3