2-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]-2-phenyl-but-3-enoic acid

Systemtic Name: 2-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]-2-phenyl-but-3-enoic acid Openeye Name: 2-[2-oxo-2-(3-pyridylmethylamino)ethyl]-2-phenyl-but-3-enoic acid CAS Name: 2-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-2-phenyl-3-butenoic acid IUPAC Name: 2-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-2-phenylbut-3-enoic acid Traditional Name: 2-[2-keto-2-(3-pyridylmethylamino)ethyl]-2-phenyl-but-3-enoic acid Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(CC(=O)NCC1=CN=CC=C1)(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C=CC(CC(=O)NCC1=CN=CC=C1)(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H18N2O3/c1-2-18(17(22)23,15-8-4-3-5-9-15)11-16(21)20-13-14-7-6-10-19-12-14/h2-10,12H,1,11,13H2,(H,20,21)(H,22,23)