1-[(1-methylpyridin-1-ium-3-yl)carbonylamino]propan-2-yl 2-[4-(phenylcarbonyl)phenyl]propanoate

Systemtic Name: 1-[(1-methylpyridin-1-ium-3-yl)carbonylamino]propan-2-yl 2-[4-(phenylcarbonyl)phenyl]propanoate Openeye Name: [1-methyl-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl] 2-(4-benzoylphenyl)propanoate CAS Name: 2-(4-benzoylphenyl)propanoic acid 1-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]propan-2-yl ester IUPAC Name: 1-[(1-methylpyridin-1-ium-3-carbonyl)amino]propan-2-yl 2-(4-benzoylphenyl)propanoate Traditional Name: 2-(4-benzoylphenyl)propionic acid [1-methyl-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl] ester Formula: C26H27N2O4+ MolecularWeight: 431.50358

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=C[N+](=CC=C1)C)OC(=O)C(C)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(CNC(=O)C1=C[N+](=CC=C1)C)OC(=O)C(C)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H26N2O4/c1-18(16-27-25(30)23-10-7-15-28(3)17-23)32-26(31)19(2)20-11-13-22(14-12-20)24(29)21-8-5-4-6-9-21/h4-15,17-19H,16H2,1-3H3/p+1