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

Systemtic Name: 2-[2-[2-oxidanylidene-2-(4-phenylbutylamino)ethyl]pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[2-[2-oxo-2-(4-phenylbutylamino)ethyl]pyrimidin-5-yl]acetic acid CAS Name: 2-[2-[2-oxo-2-(4-phenylbutylamino)ethyl]-5-pyrimidinyl]acetic acid IUPAC Name: 2-[2-[2-oxo-2-(4-phenylbutylamino)ethyl]pyrimidin-5-yl]acetic acid Traditional Name: 2-[2-[2-keto-2-(4-phenylbutylamino)ethyl]pyrimidin-5-yl]acetic acid Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC(=O)CC2=NC=C(C=N2)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC(=O)CC2=NC=C(C=N2)CC(=O)O

InChI

InChI=1S/C18H21N3O3/c22-17(11-16-20-12-15(13-21-16)10-18(23)24)19-9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,19,22)(H,23,24)