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

Systemtic Name: 5-(1-adamantylmethylcarbamoyl)-1-ethanoyl-indole-6-carboxylic acid Openeye Name: 1-acetyl-5-(1-adamantylmethylcarbamoyl)indole-6-carboxylic acid CAS Name: 1-acetyl-5-[(1-adamantylmethylamino)-oxomethyl]-6-indolecarboxylic acid IUPAC Name: 1-acetyl-5-(1-adamantylmethylcarbamoyl)indole-6-carboxylic acid Traditional Name: 1-acetyl-5-(1-adamantylmethylcarbamoyl)indole-6-carboxylic acid Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC(=C(C=C21)C(=O)O)C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)N1C=CC2=CC(=C(C=C21)C(=O)O)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H26N2O4/c1-13(26)25-3-2-17-7-18(19(22(28)29)8-20(17)25)21(27)24-12-23-9-14-4-15(10-23)6-16(5-14)11-23/h2-3,7-8,14-16H,4-6,9-12H2,1H3,(H,24,27)(H,28,29)