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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2,3-dimethyl-1H-indole-5-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2,3-dimethyl-1H-indole-5-carboxylate CAS Name: 2,3-dimethyl-1H-indole-5-carboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate Traditional Name: 2,3-dimethyl-1H-indole-5-carboxylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C(=O)OCC(=O)N(C)C3(CCCCC3)C#N)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C(=O)OCC(=O)N(C)C3(CCCCC3)C#N)C

InChI

InChI=1S/C21H25N3O3/c1-14-15(2)23-18-8-7-16(11-17(14)18)20(26)27-12-19(25)24(3)21(13-22)9-5-4-6-10-21/h7-8,11,23H,4-6,9-10,12H2,1-3H3