6-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: 6-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-6-(2,4-dioxopyrimidin-1-yl)hexanoic acid CAS Name: 6-(2,4-dioxo-1-pyrimidinyl)-2-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: 6-(2,4-dioxopyrimidin-1-yl)-2-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-6-(2,4-diketopyrimidin-1-yl)hexanoic acid Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCCN2C=CC(=O)NC2=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCCCN2C=CC(=O)NC2=O)C(=O)O

InChI

InChI=1S/C18H21N3O6/c22-15-9-11-21(17(25)20-15)10-5-4-8-14(16(23)24)19-18(26)27-12-13-6-2-1-3-7-13/h1-3,6-7,9,11,14H,4-5,8,10,12H2,(H,19,26)(H,23,24)(H,20,22,25)