[2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-(3,3-diphenylpropylamino)-2-oxo-ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [2-(3,3-diphenylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,3-diphenylpropylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic 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=CN=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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