[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2,3-dimethyl-1H-indole-5-carboxylate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2,3-dimethyl-1H-indole-5-carboxylate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 2,3-dimethyl-1H-indole-5-carboxylate CAS Name: 2,3-dimethyl-1H-indole-5-carboxylic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate Traditional Name: 2,3-dimethyl-1H-indole-5-carboxylic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C(=O)OCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C(=O)OCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C24H29N3O4/c1-13-14(2)25-20-4-3-18(8-19(13)20)22(29)31-12-21(28)26-23(30)27-24-9-15-5-16(10-24)7-17(6-15)11-24/h3-4,8,15-17,25H,5-7,9-12H2,1-2H3,(H2,26,27,28,30)