5-[(3S)-3-(2,5-dimethoxyphenyl)-5-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(3S)-3-(2,5-dimethoxyphenyl)-5-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3S)-3-(2,5-dimethoxyphenyl)-5-(p-tolyl)-1,3-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3S)-3-(2,5-dimethoxyphenyl)-5-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3S)-3-(2,5-dimethoxyphenyl)-5-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5S)-5-(2,5-dimethoxyphenyl)-3-(p-tolyl)-3-pyrazolin-1-yl]-5-keto-valerate Formula: C23H25N2O5- MolecularWeight: 409.455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(N(N2)C(=O)CCCC(=O)[O-])C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C[C@H](N(N2)C(=O)CCCC(=O)[O-])C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C23H26N2O5/c1-15-7-9-16(10-8-15)19-14-20(18-13-17(29-2)11-12-21(18)30-3)25(24-19)22(26)5-4-6-23(27)28/h7-14,20,24H,4-6H2,1-3H3,(H,27,28)/p-1/t20-/m0/s1