4-[(3S)-3-(2-chloranyl-6-methoxy-quinolin-3-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3S)-3-(2-chloranyl-6-methoxy-quinolin-3-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3-(2-chloro-6-methoxy-3-quinolyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-(2-chloro-6-methoxy-3-quinolinyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3-(2-chloro-6-methoxyquinolin-3-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-5-(2-chloro-6-methoxy-3-quinolyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C24H21ClN3O5- MolecularWeight: 466.89364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=C(N=C4C=CC(=CC4=C3)OC)Cl)C(=O)CCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=C(N=C4C=CC(=CC4=C3)OC)Cl)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C24H22ClN3O5/c1-32-16-5-3-14(4-6-16)20-13-21(28(27-20)22(29)9-10-23(30)31)18-12-15-11-17(33-2)7-8-19(15)26-24(18)25/h3-8,11-12,21H,9-10,13H2,1-2H3,(H,30,31)/p-1/t21-/m0/s1