[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] pyridine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] pyridine-4-carboxylate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=CC=NC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=CC=NC=C2

InChI

InChI=1S/C17H18N2O3/c20-16(13-22-17(21)15-8-11-18-12-9-15)19-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12H,4,7,10,13H2,(H,19,20)