[6-fluoranyl-9-[(4-imidazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl] 3-methylbutanoate

Systemtic Name: [6-fluoranyl-9-[(4-imidazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl] 3-methylbutanoate Openeye Name: [6-fluoro-9-[(4-imidazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [6-fluoro-9-[[4-(1-imidazolyl)phenyl]methyl]-1,2,3,4-tetrahydrocarbazol-1-yl] ester IUPAC Name: [6-fluoro-9-[(4-imidazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [6-fluoro-9-(4-imidazol-1-ylbenzyl)-1,2,3,4-tetrahydrocarbazol-1-yl] ester Formula: C27H28FN3O2 MolecularWeight: 445.528523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC1CCCC2=C1N(C3=C2C=C(C=C3)F)CC4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

CC(C)CC(=O)OC1CCCC2=C1N(C3=C2C=C(C=C3)F)CC4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C27H28FN3O2/c1-18(2)14-26(32)33-25-5-3-4-22-23-15-20(28)8-11-24(23)31(27(22)25)16-19-6-9-21(10-7-19)30-13-12-29-17-30/h6-13,15,17-18,25H,3-5,14,16H2,1-2H3