4-[[[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidin-4-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[6-[[(3-methoxyphenyl)methylamino]-oxomethyl]-4-pyrimidinyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[6-[(3-methoxyphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[6-(m-anisylcarbamoyl)pyrimidine-4-carbonyl]amino]methyl]benzoic acid Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C2=NC=NC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C2=NC=NC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

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