[(2R)-1-(methylamino)-1-oxidanylidene-propan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: [(2R)-1-(methylamino)-1-oxidanylidene-propan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: [(1R)-1-methyl-2-(methylamino)-2-oxo-ethyl] 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid [(2R)-1-(methylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(methylamino)-1-oxopropan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid [(1R)-2-keto-1-methyl-2-(methylamino)ethyl] ester Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4/c1-10(2)19-16(22)18-9-12-5-7-13(8-6-12)15(21)23-11(3)14(20)17-4/h5-8,10-11H,9H2,1-4H3,(H,17,20)(H2,18,19,22)/t11-/m1/s1