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

Systemtic Name: 1-(1-adamantylmethyl)-2-ethanoyl-9-(phenylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: 2-acetyl-1-(1-adamantylmethyl)-9-benzyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 2-acetyl-1-(1-adamantylmethyl)-9-(phenylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylate IUPAC Name: 2-acetyl-1-(1-adamantylmethyl)-9-benzyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 2-acetyl-1-(1-adamantylmethyl)-9-benzyl-3,4-dihydro-1H-$b-carboline-3-carboxylate Formula: C32H35N2O3- MolecularWeight: 495.6319

Click to see the large picture

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)[O-]

Isomeric SMILES

CC(=O)N1C(CC2=C(C1CC34CC5CC(C3)CC(C5)C4)N(C6=CC=CC=C26)CC7=CC=CC=C7)C(=O)[O-]

InChI

InChI=1S/C32H36N2O3/c1-20(35)34-28(31(36)37)14-26-25-9-5-6-10-27(25)33(19-21-7-3-2-4-8-21)30(26)29(34)18-32-15-22-11-23(16-32)13-24(12-22)17-32/h2-10,22-24,28-29H,11-19H2,1H3,(H,36,37)/p-1