[2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 4-chloranylpyridine-2-carboxylate

Systemtic Name: [2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 4-chloranylpyridine-2-carboxylate Openeye Name: [2-(3,3-diphenylpropylamino)-2-oxo-ethyl] 4-chloropyridine-2-carboxylate CAS Name: 4-chloro-2-pyridinecarboxylic acid [2-(3,3-diphenylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,3-diphenylpropylamino)-2-oxoethyl] 4-chloropyridine-2-carboxylate Traditional Name: 4-chloropicolinic acid [2-(3,3-diphenylpropylamino)-2-keto-ethyl] ester Formula: C23H21ClN2O3 MolecularWeight: 408.87744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNC(=O)COC(=O)C2=NC=CC(=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CCNC(=O)COC(=O)C2=NC=CC(=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C23H21ClN2O3/c24-19-11-13-25-21(15-19)23(28)29-16-22(27)26-14-12-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-11,13,15,20H,12,14,16H2,(H,26,27)