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

Systemtic Name: 1-(1-adamantylmethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: 1-(1-adamantylmethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 1-(1-adamantylmethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate IUPAC Name: 1-(1-adamantylmethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 1-(1-adamantylmethyl)-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylate Formula: C23H27N2O2- MolecularWeight: 363.47268

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC4C5=C(CC(N4)C(=O)[O-])C6=CC=CC=C6N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC4C5=C(CC(N4)C(=O)[O-])C6=CC=CC=C6N5

InChI

InChI=1S/C23H28N2O2/c26-22(27)19-8-17-16-3-1-2-4-18(16)25-21(17)20(24-19)12-23-9-13-5-14(10-23)7-15(6-13)11-23/h1-4,13-15,19-20,24-25H,5-12H2,(H,26,27)/p-1