1H-indazol-3-yl 2-(4-fluorophenyl)-3-oxidanyl-5-oxidanylidene-2-[(4-phenylphenyl)methyl]hept-6-enoate

Systemtic Name: 1H-indazol-3-yl 2-(4-fluorophenyl)-3-oxidanyl-5-oxidanylidene-2-[(4-phenylphenyl)methyl]hept-6-enoate Openeye Name: 1H-indazol-3-yl 2-(4-fluorophenyl)-3-hydroxy-5-oxo-2-[(4-phenylphenyl)methyl]hept-6-enoate CAS Name: 2-(4-fluorophenyl)-3-hydroxy-5-oxo-2-[(4-phenylphenyl)methyl]-6-heptenoic acid 1H-indazol-3-yl ester IUPAC Name: 1H-indazol-3-yl 2-(4-fluorophenyl)-3-hydroxy-5-oxo-2-[(4-phenylphenyl)methyl]hept-6-enoate Traditional Name: 2-(4-fluorophenyl)-3-hydroxy-5-keto-2-(4-phenylbenzyl)hept-6-enoic acid 1H-indazol-3-yl ester Formula: C33H27FN2O4 MolecularWeight: 534.576883

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)CC(C(CC1=CC=C(C=C1)C2=CC=CC=C2)(C3=CC=C(C=C3)F)C(=O)OC4=NNC5=CC=CC=C54)O

Isomeric SMILES

C=CC(=O)CC(C(CC1=CC=C(C=C1)C2=CC=CC=C2)(C3=CC=C(C=C3)F)C(=O)OC4=NNC5=CC=CC=C54)O

InChI

InChI=1S/C33H27FN2O4/c1-2-27(37)20-30(38)33(25-16-18-26(34)19-17-25,32(39)40-31-28-10-6-7-11-29(28)35-36-31)21-22-12-14-24(15-13-22)23-8-4-3-5-9-23/h2-19,30,38H,1,20-21H2,(H,35,36)