heptyl 6-(4-fluorophenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate

Systemtic Name: heptyl 6-(4-fluorophenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: heptyl 6-(4-fluorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: 6-(4-fluorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid heptyl ester IUPAC Name: heptyl 6-(4-fluorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: 6-(4-fluorophenyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid heptyl ester Formula: C23H28FNO3 MolecularWeight: 385.471723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C23H28FNO3/c1-3-4-5-6-7-12-28-23(27)22-15(2)21-19(25-22)13-17(14-20(21)26)16-8-10-18(24)11-9-16/h8-11,17,25H,3-7,12-14H2,1-2H3