2-[2-(4-methylphenyl)-6-oxidanylidene-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[2-(4-methylphenyl)-6-oxidanylidene-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[5-(benzyloxycarbonylamino)-6-oxo-2-(p-tolyl)pyrimidin-1-yl]acetic acid CAS Name: 2-[2-(4-methylphenyl)-6-oxo-5-(phenylmethoxycarbonylamino)-1-pyrimidinyl]acetic acid IUPAC Name: 2-[2-(4-methylphenyl)-6-oxo-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]acetic acid Traditional Name: 2-[5-(benzyloxycarbonylamino)-6-keto-2-(p-tolyl)pyrimidin-1-yl]acetic acid Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC=C(C(=O)N2CC(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC=C(C(=O)N2CC(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O5/c1-14-7-9-16(10-8-14)19-22-11-17(20(27)24(19)12-18(25)26)23-21(28)29-13-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H,23,28)(H,25,26)