[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3-methoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)C1=CN(N=C1C2=CC(=CC=C2)OC)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NCC=C)OC(=O)C1=CN(N=C1C2=CC(=CC=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C23H23N3O4/c1-4-13-24-22(27)16(2)30-23(28)20-15-26(18-10-6-5-7-11-18)25-21(20)17-9-8-12-19(14-17)29-3/h4-12,14-16H,1,13H2,2-3H3,(H,24,27)/t16-/m1/s1