5-(1-adamantylmethylcarbamoyl)-1-methyl-indole-6-carboxylic acid

Systemtic Name: 5-(1-adamantylmethylcarbamoyl)-1-methyl-indole-6-carboxylic acid Openeye Name: 5-(1-adamantylmethylcarbamoyl)-1-methyl-indole-6-carboxylic acid CAS Name: 5-[(1-adamantylmethylamino)-oxomethyl]-1-methyl-6-indolecarboxylic acid IUPAC Name: 5-(1-adamantylmethylcarbamoyl)-1-methylindole-6-carboxylic acid Traditional Name: 5-(1-adamantylmethylcarbamoyl)-1-methyl-indole-6-carboxylic acid Formula: C22H26N2O3 MolecularWeight: 366.45344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=CC(=C(C=C21)C(=O)O)C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C=CC2=CC(=C(C=C21)C(=O)O)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H26N2O3/c1-24-3-2-16-7-17(18(21(26)27)8-19(16)24)20(25)23-12-22-9-13-4-14(10-22)6-15(5-13)11-22/h2-3,7-8,13-15H,4-6,9-12H2,1H3,(H,23,25)(H,26,27)