4-[(3R)-5-(4-bromophenyl)-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3R)-5-(4-bromophenyl)-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3R)-5-(4-bromophenyl)-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3R)-5-(4-bromophenyl)-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3R)-5-(4-bromophenyl)-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5R)-3-(4-bromophenyl)-5-(2,4-dimethoxyphenyl)-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C21H20BrN2O5- MolecularWeight: 460.2979

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CC(=NN2C(=O)CCC(=O)[O-])C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CC(=NN2C(=O)CCC(=O)[O-])C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C21H21BrN2O5/c1-28-15-7-8-16(19(11-15)29-2)18-12-17(13-3-5-14(22)6-4-13)23-24(18)20(25)9-10-21(26)27/h3-8,11,18H,9-10,12H2,1-2H3,(H,26,27)/p-1/t18-/m1/s1