[2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: [2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [2-(3-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [2-[3-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [2-keto-2-(3-methyl-4-pyrrolidino-anilino)ethyl] ester Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)N3CCCC3)C)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)N3CCCC3)C)Cl)C

InChI

InChI=1S/C21H24ClN3O3/c1-13-11-16(6-7-17(13)25-8-4-5-9-25)24-18(26)12-28-21(27)19-14(2)10-15(3)23-20(19)22/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,24,26)