[2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxoethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-keto-2-[(5R)-5-(4-methoxyphenyl)-3-phenyl-3-pyrazolin-1-yl]ethyl] ester Formula: C25H22ClN3O4 MolecularWeight: 463.91288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C=C(NN2C(=O)COC(=O)C3=CC(=C(C=C3)Cl)N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2C=C(NN2C(=O)COC(=O)C3=CC(=C(C=C3)Cl)N)C4=CC=CC=C4

InChI

InChI=1S/C25H22ClN3O4/c1-32-19-10-7-17(8-11-19)23-14-22(16-5-3-2-4-6-16)28-29(23)24(30)15-33-25(31)18-9-12-20(26)21(27)13-18/h2-14,23,28H,15,27H2,1H3/t23-/m1/s1