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

Systemtic Name: methyl 5-(cyclohexylamino)-3-(oxolan-2-ylcarbonylamino)-1-phenethyl-pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-(cyclohexylamino)-1-phenethyl-3-(tetrahydrofuran-2-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-(cyclohexylamino)-3-[[oxo(2-oxolanyl)methyl]amino]-1-phenethyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(cyclohexylamino)-3-(oxolane-2-carbonylamino)-1-phenethylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-(cyclohexylamino)-1-phenethyl-3-(tetrahydrofuran-2-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C28H34N4O4 MolecularWeight: 490.59396

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC(=CN=C2N1CCC3=CC=CC=C3)NC4CCCCC4)NC(=O)C5CCCO5

Isomeric SMILES

COC(=O)C1=C(C2=CC(=CN=C2N1CCC3=CC=CC=C3)NC4CCCCC4)NC(=O)C5CCCO5

InChI

InChI=1S/C28H34N4O4/c1-35-28(34)25-24(31-27(33)23-13-8-16-36-23)22-17-21(30-20-11-6-3-7-12-20)18-29-26(22)32(25)15-14-19-9-4-2-5-10-19/h2,4-5,9-10,17-18,20,23,30H,3,6-8,11-16H2,1H3,(H,31,33)