(phenylmethyl) (1R,3S)-1-(1-adamantylmethyl)-2-ethanoyl-6-fluoranyl-9-(phenylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: (phenylmethyl) (1R,3S)-1-(1-adamantylmethyl)-2-ethanoyl-6-fluoranyl-9-(phenylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: benzyl (1R,3S)-2-acetyl-1-(1-adamantylmethyl)-9-benzyl-6-fluoro-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylate CAS Name: (1R,3S)-2-acetyl-1-(1-adamantylmethyl)-6-fluoro-9-(phenylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1R,3S)-2-acetyl-1-(1-adamantylmethyl)-9-benzyl-6-fluoro-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: (1R,3S)-2-acetyl-1-(1-adamantylmethyl)-9-benzyl-6-fluoro-3,4-dihydro-1H-$b-carboline-3-carboxylic acid benzyl ester Formula: C39H41FN2O3 MolecularWeight: 604.752843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC2=C(C1CC34CC5CC(C3)CC(C5)C4)N(C6=C2C=C(C=C6)F)CC7=CC=CC=C7)C(=O)OCC8=CC=CC=C8

Isomeric SMILES

CC(=O)N1[C@@H](CC2=C([C@H]1CC34CC5CC(C3)CC(C5)C4)N(C6=C2C=C(C=C6)F)CC7=CC=CC=C7)C(=O)OCC8=CC=CC=C8

InChI

InChI=1S/C39H41FN2O3/c1-25(43)42-35(38(44)45-24-27-10-6-3-7-11-27)18-33-32-17-31(40)12-13-34(32)41(23-26-8-4-2-5-9-26)37(33)36(42)22-39-19-28-14-29(20-39)16-30(15-28)21-39/h2-13,17,28-30,35-36H,14-16,18-24H2,1H3/t28?,29?,30?,35-,36+,39?/m0/s1