[2-[3-oxidanylidene-3-(2-pyridin-4-ylethylamino)propyl]phenyl] benzoate

Systemtic Name: [2-[3-oxidanylidene-3-(2-pyridin-4-ylethylamino)propyl]phenyl] benzoate Openeye Name: [2-[3-oxo-3-[2-(4-pyridyl)ethylamino]propyl]phenyl] benzoate CAS Name: benzoic acid [2-[3-oxo-3-(2-pyridin-4-ylethylamino)propyl]phenyl] ester IUPAC Name: [2-[3-oxo-3-(2-pyridin-4-ylethylamino)propyl]phenyl] benzoate Traditional Name: benzoic acid [2-[3-keto-3-[2-(4-pyridyl)ethylamino]propyl]phenyl] ester Formula: C23H22N2O3 MolecularWeight: 374.43238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2CCC(=O)NCCC3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2CCC(=O)NCCC3=CC=NC=C3

InChI

InChI=1S/C23H22N2O3/c26-22(25-17-14-18-12-15-24-16-13-18)11-10-19-6-4-5-9-21(19)28-23(27)20-7-2-1-3-8-20/h1-9,12-13,15-16H,10-11,14,17H2,(H,25,26)