butyl 2-[[2-cyanoethyl-(phenylmethyl)carbamoyl]amino]benzoate

Systemtic Name: butyl 2-[[2-cyanoethyl-(phenylmethyl)carbamoyl]amino]benzoate Openeye Name: butyl 2-[[benzyl(2-cyanoethyl)carbamoyl]amino]benzoate CAS Name: 2-[[[2-cyanoethyl-(phenylmethyl)amino]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 2-[[benzyl(2-cyanoethyl)carbamoyl]amino]benzoate Traditional Name: 2-[[benzyl(2-cyanoethyl)carbamoyl]amino]benzoic acid butyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1NC(=O)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1NC(=O)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C22H25N3O3/c1-2-3-16-28-21(26)19-12-7-8-13-20(19)24-22(27)25(15-9-14-23)17-18-10-5-4-6-11-18/h4-8,10-13H,2-3,9,15-17H2,1H3,(H,24,27)