ethyl 3-[3-(1-adamantylamino)-3-oxidanylidene-prop-1-ynyl]-4,6-bis(chloranyl)-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[3-(1-adamantylamino)-3-oxidanylidene-prop-1-ynyl]-4,6-bis(chloranyl)-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-(1-adamantylamino)-3-oxo-prop-1-ynyl]-4,6-dichloro-1H-indole-2-carboxylate CAS Name: 3-[3-(1-adamantylamino)-3-oxoprop-1-ynyl]-4,6-dichloro-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(1-adamantylamino)-3-oxoprop-1-ynyl]-4,6-dichloro-1H-indole-2-carboxylate Traditional Name: 3-[3-(1-adamantylamino)-3-keto-prop-1-ynyl]-4,6-dichloro-1H-indole-2-carboxylic acid ethyl ester Formula: C24H24Cl2N2O3 MolecularWeight: 459.36496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=C(C=C2N1)Cl)Cl)C#CC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=C(C=C2N1)Cl)Cl)C#CC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H24Cl2N2O3/c1-2-31-23(30)22-17(21-18(26)8-16(25)9-19(21)27-22)3-4-20(29)28-24-10-13-5-14(11-24)7-15(6-13)12-24/h8-9,13-15,27H,2,5-7,10-12H2,1H3,(H,28,29)