(phenylmethyl) 6-fluoranyl-9-(4-methylphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate

Systemtic Name: (phenylmethyl) 6-fluoranyl-9-(4-methylphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate Openeye Name: benzyl 6-fluoro-9-(4-methylbenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate CAS Name: 6-fluoro-9-[(4-methylphenyl)-oxomethyl]-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-fluoro-9-(4-methylbenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate Traditional Name: 6-fluoro-9-p-toluoyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid benzyl ester Formula: C28H24FNO3 MolecularWeight: 441.493463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C3=C(CC(CC3)C(=O)OCC4=CC=CC=C4)C5=C2C=CC(=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2C3=C(CC(CC3)C(=O)OCC4=CC=CC=C4)C5=C2C=CC(=C5)F

InChI

InChI=1S/C28H24FNO3/c1-18-7-9-20(10-8-18)27(31)30-25-13-11-21(28(32)33-17-19-5-3-2-4-6-19)15-23(25)24-16-22(29)12-14-26(24)30/h2-10,12,14,16,21H,11,13,15,17H2,1H3