methyl 5-(4-methylpentan-2-ylamino)-3-(oxolan-3-ylcarbonylamino)-1-phenethyl-pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 5-(4-methylpentan-2-ylamino)-3-(oxolan-3-ylcarbonylamino)-1-phenethyl-pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-(1,3-dimethylbutylamino)-1-phenethyl-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-(4-methylpentan-2-ylamino)-3-[[oxo(3-oxolanyl)methyl]amino]-1-phenethyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-methylpentan-2-ylamino)-3-(oxolane-3-carbonylamino)-1-phenethylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-(1,3-dimethylbutylamino)-1-phenethyl-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C28H36N4O4 MolecularWeight: 492.60984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)NC1=CN=C2C(=C1)C(=C(N2CCC3=CC=CC=C3)C(=O)OC)NC(=O)C4CCOC4

Isomeric SMILES

CC(C)CC(C)NC1=CN=C2C(=C1)C(=C(N2CCC3=CC=CC=C3)C(=O)OC)NC(=O)C4CCOC4

InChI

InChI=1S/C28H36N4O4/c1-18(2)14-19(3)30-22-15-23-24(31-27(33)21-11-13-36-17-21)25(28(34)35-4)32(26(23)29-16-22)12-10-20-8-6-5-7-9-20/h5-9,15-16,18-19,21,30H,10-14,17H2,1-4H3,(H,31,33)