4-[5-methyl-2-[(3-phenylmethoxyphenyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[5-methyl-2-[(3-phenylmethoxyphenyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[2-(3-benzyloxyanilino)-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[5-methyl-2-(3-phenylmethoxyanilino)-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[5-methyl-2-(3-phenylmethoxyanilino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[2-(3-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(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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