[(2R)-1-oxidanylidene-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[[(2R)-2-phenylbutyl]amino]ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [(2R)-1-oxo-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [(1R)-2-keto-1-methyl-2-[[(2R)-2-phenylbutyl]amino]ethyl] ester Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)OC(=O)C1=CC(=C(C=C1OC)N)Cl)C2=CC=CC=C2

Isomeric SMILES

CC[C@@H](CNC(=O)[C@@H](C)OC(=O)C1=CC(=C(C=C1OC)N)Cl)C2=CC=CC=C2

InChI

InChI=1S/C21H25ClN2O4/c1-4-14(15-8-6-5-7-9-15)12-24-20(25)13(2)28-21(26)16-10-17(22)18(23)11-19(16)27-3/h5-11,13-14H,4,12,23H2,1-3H3,(H,24,25)/t13-,14+/m1/s1