4-[5-methyl-2-[(4-phenylmethoxyphenyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[5-methyl-2-[(4-phenylmethoxyphenyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[2-(4-benzyloxyanilino)-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[5-methyl-2-(4-phenylmethoxyanilino)-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[5-methyl-2-(4-phenylmethoxyanilino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[2-(4-benzoxyanilino)-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Formula: C23H20N4O3 MolecularWeight: 400.4299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H20N4O3/c1-15-12-25-23(27-21(15)17-11-20(22(28)29)24-13-17)26-18-7-9-19(10-8-18)30-14-16-5-3-2-4-6-16/h2-13,24H,14H2,1H3,(H,28,29)(H,25,26,27)