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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C(=O)O)N2C=NC=C(C2=O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C(C(=O)O)N2C=NC=C(C2=O)NC(=O)OCC3=CC=CC=C3

InChI

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