[(2R)-1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [(2R)-1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 6-chloranylpyridine-3-carboxylate Openeye Name: [(1R)-2-(4-tert-butylanilino)-1-methyl-2-oxo-ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [(2R)-1-(4-tert-butylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-tert-butylanilino)-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [(1R)-2-(4-tert-butylanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H21ClN2O3 MolecularWeight: 360.83464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CN=C(C=C2)Cl

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C19H21ClN2O3/c1-12(25-18(24)13-5-10-16(20)21-11-13)17(23)22-15-8-6-14(7-9-15)19(2,3)4/h5-12H,1-4H3,(H,22,23)/t12-/m1/s1