[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 4-(cyclopropylcarbonylamino)benzoate

Systemtic Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 4-(cyclopropylcarbonylamino)benzoate Openeye Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 4-(cyclopropanecarbonylamino)benzoate CAS Name: 4-[[cyclopropyl(oxo)methyl]amino]benzoic acid [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate Traditional Name: 4-(cyclopropanecarbonylamino)benzoic acid [2-keto-2-[5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethyl] ester Formula: C29H27N3O5 MolecularWeight: 497.54178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)C3=CC=C(C=C3)NC(=O)C4CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)C3=CC=C(C=C3)NC(=O)C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H27N3O5/c1-36-24-15-11-20(12-16-24)26-17-25(19-5-3-2-4-6-19)31-32(26)27(33)18-37-29(35)22-9-13-23(14-10-22)30-28(34)21-7-8-21/h2-6,9-16,21,26H,7-8,17-18H2,1H3,(H,30,34)