4-[(3S)-3-(4-ethylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3S)-3-(4-ethylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3-(4-ethylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-(4-ethylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3-(4-ethylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-5-(4-ethylphenyl)-3-phenyl-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C21H21N2O3- MolecularWeight: 349.40304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H]2CC(=NN2C(=O)CCC(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3/c1-2-15-8-10-17(11-9-15)19-14-18(16-6-4-3-5-7-16)22-23(19)20(24)12-13-21(25)26/h3-11,19H,2,12-14H2,1H3,(H,25,26)/p-1/t19-/m0/s1