(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazole-5-carboxylic acid

Systemtic Name: (4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazole-5-carboxylic acid Openeye Name: (4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazole-5-carboxylic acid CAS Name: (4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazole-5-carboxylic acid IUPAC Name: (4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazole-5-carboxylic acid Traditional Name: (4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benz[f]indazole-5-carboxylic acid Formula: C19H19FN2O2 MolecularWeight: 326.364763

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3=C(C=C1CCCC2C(=O)O)N(N=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C[C@]12CC3=C(C=C1CCC[C@@H]2C(=O)O)N(N=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H19FN2O2/c1-19-10-12-11-21-22(15-7-5-14(20)6-8-15)17(12)9-13(19)3-2-4-16(19)18(23)24/h5-9,11,16H,2-4,10H2,1H3,(H,23,24)/t16-,19+/m1/s1