[2-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-[(4-benzyloxy-3-methoxy-phenyl)methylamino]-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-[(4-benzoxy-3-methoxy-benzyl)amino]-2-keto-ethyl] ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)COC(=O)C2=CC=NC=C2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)COC(=O)C2=CC=NC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O5/c1-28-21-13-18(7-8-20(21)29-15-17-5-3-2-4-6-17)14-25-22(26)16-30-23(27)19-9-11-24-12-10-19/h2-13H,14-16H2,1H3,(H,25,26)