[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 6-morpholin-4-ylpyridine-3-carboxylate

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 6-morpholin-4-ylpyridine-3-carboxylate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] 6-morpholinopyridine-3-carboxylate CAS Name: 6-(4-morpholinyl)-3-pyridinecarboxylic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate Traditional Name: 6-morpholinonicotinic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CN=C(C=C2)N3CCOCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CN=C(C=C2)N3CCOCC3

InChI

InChI=1S/C22H27N3O4/c1-22(2,3)17-5-7-18(8-6-17)24-20(26)15-29-21(27)16-4-9-19(23-14-16)25-10-12-28-13-11-25/h4-9,14H,10-13,15H2,1-3H3,(H,24,26)