[(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [(1S)-2-keto-1-methyl-2-[[(2S)-2-phenylbutyl]amino]ethyl] ester Formula: C24H27N3O3 MolecularWeight: 405.48948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)OC(=O)C1=CC=C(C=C1)N2C(=CC=N2)C)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)[C@H](C)OC(=O)C1=CC=C(C=C1)N2C(=CC=N2)C)C3=CC=CC=C3

InChI

InChI=1S/C24H27N3O3/c1-4-19(20-8-6-5-7-9-20)16-25-23(28)18(3)30-24(29)21-10-12-22(13-11-21)27-17(2)14-15-26-27/h5-15,18-19H,4,16H2,1-3H3,(H,25,28)/t18-,19+/m0/s1