4-[(3S)-3-(2-chloranyl-7-ethoxy-quinolin-3-yl)-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3S)-3-(2-chloranyl-7-ethoxy-quinolin-3-yl)-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3-(2-chloro-7-ethoxy-3-quinolyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-(2-chloro-7-ethoxy-3-quinolinyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3-(2-chloro-7-ethoxyquinolin-3-yl)-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-5-(2-chloro-7-ethoxy-3-quinolyl)-3-phenyl-3-pyrazolin-1-yl]-4-keto-butyrate Formula: C24H21ClN3O4- MolecularWeight: 450.89424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=NC(=C(C=C2C=C1)C3C=C(NN3C(=O)CCC(=O)[O-])C4=CC=CC=C4)Cl

Isomeric SMILES

CCOC1=CC2=NC(=C(C=C2C=C1)[C@@H]3C=C(NN3C(=O)CCC(=O)[O-])C4=CC=CC=C4)Cl

InChI

InChI=1S/C24H22ClN3O4/c1-2-32-17-9-8-16-12-18(24(25)26-19(16)13-17)21-14-20(15-6-4-3-5-7-15)27-28(21)22(29)10-11-23(30)31/h3-9,12-14,21,27H,2,10-11H2,1H3,(H,30,31)/p-1/t21-/m0/s1