4-[2-[[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl]amino]-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 4-[2-[[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl]amino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 4-[2-[[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl]amino]-2-oxo-ethyl]benzoic acid CAS Name: 4-[2-[[6-[[(3-methoxyphenyl)methylamino]-oxomethyl]-4-pyrimidinyl]amino]-2-oxoethyl]benzoic acid IUPAC Name: 4-[2-[[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl]amino]-2-oxoethyl]benzoic acid Traditional Name: 4-[2-keto-2-[[6-(m-anisylcarbamoyl)pyrimidin-4-yl]amino]ethyl]benzoic acid Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C2=CC(=NC=N2)NC(=O)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C2=CC(=NC=N2)NC(=O)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H20N4O5/c1-31-17-4-2-3-15(9-17)12-23-21(28)18-11-19(25-13-24-18)26-20(27)10-14-5-7-16(8-6-14)22(29)30/h2-9,11,13H,10,12H2,1H3,(H,23,28)(H,29,30)(H,24,25,26,27)