[(1R)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(butylamino)benzoate

Systemtic Name: [(1R)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(butylamino)benzoate Openeye Name: [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 2-(butylamino)benzoate CAS Name: 2-(butylamino)benzoic acid [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(butylamino)benzoate Traditional Name: 2-(butylamino)benzoic acid [(1R)-2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1C(=O)OC(C2=CC=CC=C2)C(=O)NC(=O)NC

Isomeric SMILES

CCCCNC1=CC=CC=C1C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC(=O)NC

InChI

InChI=1S/C21H25N3O4/c1-3-4-14-23-17-13-9-8-12-16(17)20(26)28-18(15-10-6-5-7-11-15)19(25)24-21(27)22-2/h5-13,18,23H,3-4,14H2,1-2H3,(H2,22,24,25,27)/t18-/m1/s1