[2-oxidanylidene-2-(1-phenylbutylamino)ethyl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1-phenylbutylamino)ethyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(1-phenylbutylamino)ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [2-oxo-2-(1-phenylbutylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-phenylbutylamino)ethyl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-keto-2-(1-phenylbutylamino)ethyl] ester Formula: C18H19ClN2O3 MolecularWeight: 346.80806

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)C2=C(N=CC=C2)Cl

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)C2=C(N=CC=C2)Cl

InChI

InChI=1S/C18H19ClN2O3/c1-2-7-15(13-8-4-3-5-9-13)21-16(22)12-24-18(23)14-10-6-11-20-17(14)19/h3-6,8-11,15H,2,7,12H2,1H3,(H,21,22)