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

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

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

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H26N2O3/c1-24-3-2-16-7-18(21(26)27)17(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)


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