3-[[1-(1-adamantyl)ethylamino]methyl]-1-methyl-indole-2-carboxylic acid

Systemtic Name: 3-[[1-(1-adamantyl)ethylamino]methyl]-1-methyl-indole-2-carboxylic acid Openeye Name: 3-[[1-(1-adamantyl)ethylamino]methyl]-1-methyl-indole-2-carboxylic acid CAS Name: 3-[[1-(1-adamantyl)ethylamino]methyl]-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-[[1-(1-adamantyl)ethylamino]methyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[[1-(1-adamantyl)ethylamino]methyl]-1-methyl-indole-2-carboxylic acid Formula: C23H30N2O2 MolecularWeight: 366.4965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NCC4=C(N(C5=CC=CC=C54)C)C(=O)O

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NCC4=C(N(C5=CC=CC=C54)C)C(=O)O

InChI

InChI=1S/C23H30N2O2/c1-14(23-10-15-7-16(11-23)9-17(8-15)12-23)24-13-19-18-5-3-4-6-20(18)25(2)21(19)22(26)27/h3-6,14-17,24H,7-13H2,1-2H3,(H,26,27)