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

Systemtic Name: [(2R)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: [(1R)-2-(dimethylamino)-1-methyl-2-oxo-ethyl] 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid [(1R)-2-(dimethylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H25N3O4 MolecularWeight: 335.3981

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4/c1-11(2)19-17(23)18-10-13-6-8-14(9-7-13)16(22)24-12(3)15(21)20(4)5/h6-9,11-12H,10H2,1-5H3,(H2,18,19,23)/t12-/m1/s1