2-[2-[2-oxidanylidene-2-[2-(4-phenoxyphenyl)ethylamino]ethyl]pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[2-[2-oxidanylidene-2-[2-(4-phenoxyphenyl)ethylamino]ethyl]pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[2-[2-oxo-2-[2-(4-phenoxyphenyl)ethylamino]ethyl]pyrimidin-5-yl]acetic acid CAS Name: 2-[2-[2-oxo-2-[2-(4-phenoxyphenyl)ethylamino]ethyl]-5-pyrimidinyl]acetic acid IUPAC Name: 2-[2-[2-oxo-2-[2-(4-phenoxyphenyl)ethylamino]ethyl]pyrimidin-5-yl]acetic acid Traditional Name: 2-[2-[2-keto-2-[2-(4-phenoxyphenyl)ethylamino]ethyl]pyrimidin-5-yl]acetic acid Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)CCNC(=O)CC3=NC=C(C=N3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)CCNC(=O)CC3=NC=C(C=N3)CC(=O)O

InChI

InChI=1S/C22H21N3O4/c26-21(13-20-24-14-17(15-25-20)12-22(27)28)23-11-10-16-6-8-19(9-7-16)29-18-4-2-1-3-5-18/h1-9,14-15H,10-13H2,(H,23,26)(H,27,28)