[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 1-methylindole-3-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 1-methylindole-3-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 1-methylindole-3-carboxylate CAS Name: 1-methyl-3-indolecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 1-methylindole-3-carboxylate Traditional Name: 1-methylindole-3-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

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