4-[(3S)-5-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3S)-5-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3S)-5-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)-1,3-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[(3S)-5-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[(3S)-5-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[(5S)-3-(3,4-dimethoxyphenyl)-5-(4-ethylphenyl)-3-pyrazolin-1-yl]-4-keto-butyric acid Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C=C(NN2C(=O)CCC(=O)O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5/c1-4-15-5-7-16(8-6-15)19-14-18(24-25(19)22(26)11-12-23(27)28)17-9-10-20(29-2)21(13-17)30-3/h5-10,13-14,19,24H,4,11-12H2,1-3H3,(H,27,28)/t19-/m0/s1