5-[(3S)-3-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(3S)-3-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3S)-3-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3S)-3-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3S)-3-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5S)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3-pyrazolin-1-yl]-5-keto-valerate Formula: C21H20ClN2O4- MolecularWeight: 399.8475

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(N(N2)C(=O)CCCC(=O)[O-])C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=C[C@H](N(N2)C(=O)CCCC(=O)[O-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O4/c1-28-17-11-7-14(8-12-17)18-13-19(15-5-9-16(22)10-6-15)24(23-18)20(25)3-2-4-21(26)27/h5-13,19,23H,2-4H2,1H3,(H,26,27)/p-1/t19-/m0/s1