5-[(3R)-3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(3R)-3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3R)-3-(1,3-benzodioxol-5-yl)-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3R)-3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3R)-3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5R)-5-(1,3-benzodioxol-5-yl)-3-(p-tolyl)-2-pyrazolin-1-yl]-5-keto-valerate Formula: C22H21N2O5- MolecularWeight: 393.41254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC4=C(C=C3)OCO4)C(=O)CCCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN([C@H](C2)C3=CC4=C(C=C3)OCO4)C(=O)CCCC(=O)[O-]

InChI

InChI=1S/C22H22N2O5/c1-14-5-7-15(8-6-14)17-12-18(16-9-10-19-20(11-16)29-13-28-19)24(23-17)21(25)3-2-4-22(26)27/h5-11,18H,2-4,12-13H2,1H3,(H,26,27)/p-1/t18-/m1/s1