[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4/c1-11(2)20-16(22)13(5)25-17(23)15-8-6-14(7-9-15)10-19-18(24)21-12(3)4/h6-9,11-13H,10H2,1-5H3,(H,20,22)(H2,19,21,24)/t13-/m0/s1