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

Systemtic Name: (phenylmethyl) (1S,3R)-1-(1-adamantylmethyl)-2-ethanoyl-9-(phenylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: benzyl (1S,3R)-2-acetyl-1-(1-adamantylmethyl)-9-benzyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylate CAS Name: (1S,3R)-2-acetyl-1-(1-adamantylmethyl)-9-(phenylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1S,3R)-2-acetyl-1-(1-adamantylmethyl)-9-benzyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: (1S,3R)-2-acetyl-1-(1-adamantylmethyl)-9-benzyl-3,4-dihydro-1H-$b-carboline-3-carboxylic acid benzyl ester Formula: C39H42N2O3 MolecularWeight: 586.76238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC2=C(C1CC34CC5CC(C3)CC(C5)C4)N(C6=CC=CC=C26)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=CC=CC=C26)CC7=CC=CC=C7)C(=O)OCC8=CC=CC=C8

InChI

InChI=1S/C39H42N2O3/c1-26(42)41-35(38(43)44-25-28-12-6-3-7-13-28)19-33-32-14-8-9-15-34(32)40(24-27-10-4-2-5-11-27)37(33)36(41)23-39-20-29-16-30(21-39)18-31(17-29)22-39/h2-15,29-31,35-36H,16-25H2,1H3/t29?,30?,31?,35-,36+,39?/m1/s1