methyl 5-(cyclobutylamino)-3-(oxolan-3-ylcarbonylamino)-1-phenethyl-pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 5-(cyclobutylamino)-3-(oxolan-3-ylcarbonylamino)-1-phenethyl-pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-(cyclobutylamino)-1-phenethyl-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-(cyclobutylamino)-3-[[oxo(3-oxolanyl)methyl]amino]-1-phenethyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(cyclobutylamino)-3-(oxolane-3-carbonylamino)-1-phenethylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-(cyclobutylamino)-1-phenethyl-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C26H30N4O4 MolecularWeight: 462.5408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC(=CN=C2N1CCC3=CC=CC=C3)NC4CCC4)NC(=O)C5CCOC5

Isomeric SMILES

COC(=O)C1=C(C2=CC(=CN=C2N1CCC3=CC=CC=C3)NC4CCC4)NC(=O)C5CCOC5

InChI

InChI=1S/C26H30N4O4/c1-33-26(32)23-22(29-25(31)18-11-13-34-16-18)21-14-20(28-19-8-5-9-19)15-27-24(21)30(23)12-10-17-6-3-2-4-7-17/h2-4,6-7,14-15,18-19,28H,5,8-13,16H2,1H3,(H,29,31)