methyl 6-fluoranyl-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate

Systemtic Name: methyl 6-fluoranyl-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl 6-fluoro-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate CAS Name: 6-fluoro-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid methyl ester IUPAC Name: methyl 6-fluoro-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate Traditional Name: 6-fluoro-1,1-diphenyl-2,3,4,9-tetrahydro-$b-carboline-3-carboxylic acid methyl ester Formula: C25H21FN2O2 MolecularWeight: 400.444843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(C(N1)(C3=CC=CC=C3)C4=CC=CC=C4)NC5=C2C=C(C=C5)F

Isomeric SMILES

COC(=O)C1CC2=C(C(N1)(C3=CC=CC=C3)C4=CC=CC=C4)NC5=C2C=C(C=C5)F

InChI

InChI=1S/C25H21FN2O2/c1-30-24(29)22-15-20-19-14-18(26)12-13-21(19)27-23(20)25(28-22,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,22,27-28H,15H2,1H3