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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H26N2O3/c1-27-21(26)18-12-24(19-5-3-2-4-17(18)19)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)