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

Systemtic Name: 2-[2-cyclohexyl-6-oxidanylidene-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[5-(benzyloxycarbonylamino)-2-cyclohexyl-6-oxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[2-cyclohexyl-6-oxo-5-(phenylmethoxycarbonylamino)-1-pyrimidinyl]acetic acid IUPAC Name: 2-[2-cyclohexyl-6-oxo-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]acetic acid Traditional Name: 2-[5-(benzyloxycarbonylamino)-2-cyclohexyl-6-keto-pyrimidin-1-yl]acetic acid Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC=C(C(=O)N2CC(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C2=NC=C(C(=O)N2CC(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O5/c24-17(25)12-23-18(15-9-5-2-6-10-15)21-11-16(19(23)26)22-20(27)28-13-14-7-3-1-4-8-14/h1,3-4,7-8,11,15H,2,5-6,9-10,12-13H2,(H,22,27)(H,24,25)