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

Systemtic Name: 5-[(3S)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3S)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3S)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3S)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-keto-5-[(5S)-5-(2-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]valerate Formula: C21H21N2O4- MolecularWeight: 365.40244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CC(=NN2C(=O)CCCC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-27-19-11-6-5-10-16(19)18-14-17(15-8-3-2-4-9-15)22-23(18)20(24)12-7-13-21(25)26/h2-6,8-11,18H,7,12-14H2,1H3,(H,25,26)/p-1/t18-/m0/s1