4-[[1-(1-adamantyl)ethylamino]methyl]-2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylic acid

Systemtic Name: 4-[[1-(1-adamantyl)ethylamino]methyl]-2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylic acid Openeye Name: 4-[[1-(1-adamantyl)ethylamino]methyl]-1-benzyl-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 4-[[1-(1-adamantyl)ethylamino]methyl]-2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid IUPAC Name: 4-[[1-(1-adamantyl)ethylamino]methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 4-[[1-(1-adamantyl)ethylamino]methyl]-1-benzyl-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C27H36N2O2 MolecularWeight: 420.58694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)O)CNC(C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)O)CNC(C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H36N2O2/c1-17-24(25(26(30)31)18(2)29(17)16-20-7-5-4-6-8-20)15-28-19(3)27-12-21-9-22(13-27)11-23(10-21)14-27/h4-8,19,21-23,28H,9-16H2,1-3H3,(H,30,31)