[2-[(3R)-3-(3,4-dimethoxyphenyl)-2-ethanoyl-3,4-dihydropyrazol-5-yl]-5-methoxy-phenyl] benzoate

Systemtic Name: [2-[(3R)-3-(3,4-dimethoxyphenyl)-2-ethanoyl-3,4-dihydropyrazol-5-yl]-5-methoxy-phenyl] benzoate Openeye Name: [2-[(3R)-2-acetyl-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-5-methoxy-phenyl] benzoate CAS Name: benzoic acid [2-[(3R)-2-acetyl-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-5-methoxyphenyl] ester IUPAC Name: [2-[(3R)-2-acetyl-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-5-methoxyphenyl] benzoate Traditional Name: benzoic acid [2-[(5R)-1-acetyl-5-(3,4-dimethoxyphenyl)-2-pyrazolin-3-yl]-5-methoxy-phenyl] ester Formula: C27H26N2O6 MolecularWeight: 474.50514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=C(C=C(C=C2)OC)OC(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(=O)N1[C@H](CC(=N1)C2=C(C=C(C=C2)OC)OC(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H26N2O6/c1-17(30)29-23(19-10-13-24(33-3)26(14-19)34-4)16-22(28-29)21-12-11-20(32-2)15-25(21)35-27(31)18-8-6-5-7-9-18/h5-15,23H,16H2,1-4H3/t23-/m1/s1