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

Systemtic Name: 4-[(3S)-3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-5-(2-chlorophenyl)-3-(4-methoxyphenyl)-3-pyrazolin-1-yl]-4-keto-butyrate Formula: C20H18ClN2O4- MolecularWeight: 385.82092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(N(N2)C(=O)CCC(=O)[O-])C3=CC=CC=C3Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=C[C@H](N(N2)C(=O)CCC(=O)[O-])C3=CC=CC=C3Cl

InChI

InChI=1S/C20H19ClN2O4/c1-27-14-8-6-13(7-9-14)17-12-18(15-4-2-3-5-16(15)21)23(22-17)19(24)10-11-20(25)26/h2-9,12,18,22H,10-11H2,1H3,(H,25,26)/p-1/t18-/m0/s1