butyl 4-[[2-cyanoethyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoate

Systemtic Name: butyl 4-[[2-cyanoethyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoate Openeye Name: butyl 4-[[2-cyanoethyl(tetrahydrofuran-2-ylmethyl)carbamoyl]amino]benzoate CAS Name: 4-[[[2-cyanoethyl(2-oxolanylmethyl)amino]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-cyanoethyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoate Traditional Name: 4-[[2-cyanoethyl(tetrahydrofurfuryl)carbamoyl]amino]benzoic acid butyl ester Formula: C20H27N3O4 MolecularWeight: 373.44608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)N(CCC#N)CC2CCCO2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)N(CCC#N)CC2CCCO2

InChI

InChI=1S/C20H27N3O4/c1-2-3-13-27-19(24)16-7-9-17(10-8-16)22-20(25)23(12-5-11-21)15-18-6-4-14-26-18/h7-10,18H,2-6,12-15H2,1H3,(H,22,25)