(E,3R,5S)-7-[2-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydroindazol-3-yl]-3,5-bis(oxidanyl)hept-6-enoic acid

Systemtic Name: (E,3R,5S)-7-[2-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydroindazol-3-yl]-3,5-bis(oxidanyl)hept-6-enoic acid Openeye Name: (E,3R,5S)-7-[2-(4-fluorophenyl)-7-(1-naphthylmethyl)-4,5,6,7-tetrahydroindazol-3-yl]-3,5-dihydroxy-hept-6-enoic acid CAS Name: (E,3R,5S)-7-[2-(4-fluorophenyl)-7-(1-naphthalenylmethyl)-4,5,6,7-tetrahydroindazol-3-yl]-3,5-dihydroxy-6-heptenoic acid IUPAC Name: (E,3R,5S)-7-[2-(4-fluorophenyl)-7-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydroindazol-3-yl]-3,5-dihydroxyhept-6-enoic acid Traditional Name: (E,3R,5S)-7-[2-(4-fluorophenyl)-7-(1-naphthylmethyl)-4,5,6,7-tetrahydroindazol-3-yl]-3,5-dihydroxy-hept-6-enoic acid Formula: C31H31FN2O4 MolecularWeight: 514.587243

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=NN(C(=C2C1)C=CC(CC(CC(=O)O)O)O)C3=CC=C(C=C3)F)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CC(C2=NN(C(=C2C1)/C=C/[C@H](C[C@H](CC(=O)O)O)O)C3=CC=C(C=C3)F)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C31H31FN2O4/c32-23-11-13-24(14-12-23)34-29(16-15-25(35)18-26(36)19-30(37)38)28-10-4-8-22(31(28)33-34)17-21-7-3-6-20-5-1-2-9-27(20)21/h1-3,5-7,9,11-16,22,25-26,35-36H,4,8,10,17-19H2,(H,37,38)/b16-15+/t22?,25-,26-/m1/s1