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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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