[(1R)-1-cyanoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: [(1R)-1-cyanoethyl] 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid [(1R)-1-cyanoethyl] ester Formula: C15H19N3O3 MolecularWeight: 289.32966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OC(C)C#N

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC=C(C=C1)CNC(=O)NC(C)C

InChI

InChI=1S/C15H19N3O3/c1-10(2)18-15(20)17-9-12-4-6-13(7-5-12)14(19)21-11(3)8-16/h4-7,10-11H,9H2,1-3H3,(H2,17,18,20)/t11-/m1/s1