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

Systemtic Name: 2-[4-chloranyl-6-oxidanylidene-2-phenyl-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[5-(benzyloxycarbonylamino)-4-chloro-6-oxo-2-phenyl-pyrimidin-1-yl]acetic acid CAS Name: 2-[4-chloro-6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)-1-pyrimidinyl]acetic acid IUPAC Name: 2-[4-chloro-6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]acetic acid Traditional Name: 2-[5-(benzyloxycarbonylamino)-4-chloro-6-keto-2-phenyl-pyrimidin-1-yl]acetic acid Formula: C20H16ClN3O5 MolecularWeight: 413.81114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=C(N=C(N(C2=O)CC(=O)O)C3=CC=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=C(N=C(N(C2=O)CC(=O)O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C20H16ClN3O5/c21-17-16(22-20(28)29-12-13-7-3-1-4-8-13)19(27)24(11-15(25)26)18(23-17)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,22,28)(H,25,26)