[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 6-(dimethylamino)pyridine-3-carboxylate

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 6-(dimethylamino)pyridine-3-carboxylate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] 6-(dimethylamino)pyridine-3-carboxylate CAS Name: 6-(dimethylamino)-3-pyridinecarboxylic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] 6-(dimethylamino)pyridine-3-carboxylate Traditional Name: 6-(dimethylamino)nicotinic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3/c1-20(2,3)15-7-9-16(10-8-15)22-18(24)13-26-19(25)14-6-11-17(21-12-14)23(4)5/h6-12H,13H2,1-5H3,(H,22,24)