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

Systemtic Name: (phenylmethyl) 6-fluoranyl-9-(4-methoxyphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate Openeye Name: benzyl 6-fluoro-9-(4-methoxybenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate CAS Name: 6-fluoro-9-[(4-methoxyphenyl)-oxomethyl]-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-fluoro-9-(4-methoxybenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate Traditional Name: 6-fluoro-9-p-anisoyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid benzyl ester Formula: C28H24FNO4 MolecularWeight: 457.492863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2C3=C(CC(CC3)C(=O)OCC4=CC=CC=C4)C5=C2C=CC(=C5)F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2C3=C(CC(CC3)C(=O)OCC4=CC=CC=C4)C5=C2C=CC(=C5)F

InChI

InChI=1S/C28H24FNO4/c1-33-22-11-7-19(8-12-22)27(31)30-25-13-9-20(28(32)34-17-18-5-3-2-4-6-18)15-23(25)24-16-21(29)10-14-26(24)30/h2-8,10-12,14,16,20H,9,13,15,17H2,1H3