[2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetate CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetic acid [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetic acid [2-keto-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)CC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)COC(=O)CC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C25H29N3O3/c1-4-11-23(20-12-7-5-8-13-20)26-24(29)17-31-25(30)16-22-18(2)27-28(19(22)3)21-14-9-6-10-15-21/h5-10,12-15,23H,4,11,16-17H2,1-3H3,(H,26,29)/t23-/m1/s1