ethyl 3,5-dimethyl-4-[2-[(3-phenylmethoxyphenyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[2-[(3-phenylmethoxyphenyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-(3-benzyloxyanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[2-(3-phenylmethoxyanilino)-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[2-(3-phenylmethoxyanilino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-(3-benzoxyanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C2=NC(=NC=C2)NC3=CC(=CC=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C2=NC(=NC=C2)NC3=CC(=CC=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C26H26N4O3/c1-4-32-25(31)24-17(2)23(18(3)28-24)22-13-14-27-26(30-22)29-20-11-8-12-21(15-20)33-16-19-9-6-5-7-10-19/h5-15,28H,4,16H2,1-3H3,(H,27,29,30)