[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] cyclopropanecarboxylate

Systemtic Name: [2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] cyclopropanecarboxylate Openeye Name: [2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxo-ethyl] cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic acid [2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxoethyl] cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid [2-keto-2-[(5S)-5-(4-methoxyphenyl)-3-phenyl-3-pyrazolin-1-yl]ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C=C(NN2C(=O)COC(=O)C3CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2C=C(NN2C(=O)COC(=O)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O4/c1-27-18-11-9-16(10-12-18)20-13-19(15-5-3-2-4-6-15)23-24(20)21(25)14-28-22(26)17-7-8-17/h2-6,9-13,17,20,23H,7-8,14H2,1H3/t20-/m0/s1