[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-ethylindole-3-carboxylate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-ethylindole-3-carboxylate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 1-ethylindole-3-carboxylate CAS Name: 1-ethyl-3-indolecarboxylic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate Traditional Name: 1-ethylindole-3-carboxylic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C(=O)OC(C)C(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C(=O)OC(C)C(=O)NC(C)(C#N)C(C)C

InChI

InChI=1S/C20H25N3O3/c1-6-23-11-16(15-9-7-8-10-17(15)23)19(25)26-14(4)18(24)22-20(5,12-21)13(2)3/h7-11,13-14H,6H2,1-5H3,(H,22,24)