4-[(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzoate

Systemtic Name: 4-[(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzoate Openeye Name: 4-[(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzoate CAS Name: 4-[(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzoate IUPAC Name: 4-[(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzoate Traditional Name: 4-[(5S)-5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]benzoate Formula: C25H23N2O5- MolecularWeight: 431.46052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C25H24N2O5/c1-30-20-11-6-16(7-12-20)21-15-22(18-8-13-23(31-2)24(14-18)32-3)27(26-21)19-9-4-17(5-10-19)25(28)29/h4-14,22H,15H2,1-3H3,(H,28,29)/p-1/t22-/m0/s1