3-[3-(1-adamantylmethylamino)-3-oxidanylidene-prop-1-ynyl]-4,6-bis(chloranyl)-1H-indole-2-carboxylic acid

Systemtic Name: 3-[3-(1-adamantylmethylamino)-3-oxidanylidene-prop-1-ynyl]-4,6-bis(chloranyl)-1H-indole-2-carboxylic acid Openeye Name: 3-[3-(1-adamantylmethylamino)-3-oxo-prop-1-ynyl]-4,6-dichloro-1H-indole-2-carboxylic acid CAS Name: 3-[3-(1-adamantylmethylamino)-3-oxoprop-1-ynyl]-4,6-dichloro-1H-indole-2-carboxylic acid IUPAC Name: 3-[3-(1-adamantylmethylamino)-3-oxoprop-1-ynyl]-4,6-dichloro-1H-indole-2-carboxylic acid Traditional Name: 3-[3-(1-adamantylmethylamino)-3-keto-prop-1-ynyl]-4,6-dichloro-1H-indole-2-carboxylic acid Formula: C23H22Cl2N2O3 MolecularWeight: 445.33838

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C#CC4=C(NC5=CC(=CC(=C54)Cl)Cl)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C#CC4=C(NC5=CC(=CC(=C54)Cl)Cl)C(=O)O

InChI

InChI=1S/C23H22Cl2N2O3/c24-15-6-17(25)20-16(21(22(29)30)27-18(20)7-15)1-2-19(28)26-11-23-8-12-3-13(9-23)5-14(4-12)10-23/h6-7,12-14,27H,3-5,8-11H2,(H,26,28)(H,29,30)