tert-butyl 2-[5-ethoxy-6-[(6-methylpyridin-2-yl)amino]pyridin-3-yl]pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-[5-ethoxy-6-[(6-methylpyridin-2-yl)amino]pyridin-3-yl]pyrrole-1-carboxylate Openeye Name: tert-butyl 2-[5-ethoxy-6-[(6-methyl-2-pyridyl)amino]-3-pyridyl]pyrrole-1-carboxylate CAS Name: 2-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-ethoxy-6-[(6-methylpyridin-2-yl)amino]pyridin-3-yl]pyrrole-1-carboxylate Traditional Name: 2-[5-ethoxy-6-[(6-methyl-2-pyridyl)amino]-3-pyridyl]pyrrole-1-carboxylic acid tert-butyl ester Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(N=CC(=C1)C2=CC=CN2C(=O)OC(C)(C)C)NC3=CC=CC(=N3)C

Isomeric SMILES

CCOC1=C(N=CC(=C1)C2=CC=CN2C(=O)OC(C)(C)C)NC3=CC=CC(=N3)C

InChI

InChI=1S/C22H26N4O3/c1-6-28-18-13-16(14-23-20(18)25-19-11-7-9-15(2)24-19)17-10-8-12-26(17)21(27)29-22(3,4)5/h7-14H,6H2,1-5H3,(H,23,24,25)