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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CNC1=CN=C2C(=C1)C(=C(N2CCC3=CC=CC=C3)C(=O)OC)NC(=O)C4CCCO4

Isomeric SMILES

CCC(CC)CNC1=CN=C2C(=C1)C(=C(N2CCC3=CC=CC=C3)C(=O)OC)NC(=O)C4CCCO4

InChI

InChI=1S/C28H36N4O4/c1-4-19(5-2)17-29-21-16-22-24(31-27(33)23-12-9-15-36-23)25(28(34)35-3)32(26(22)30-18-21)14-13-20-10-7-6-8-11-20/h6-8,10-11,16,18-19,23,29H,4-5,9,12-15,17H2,1-3H3,(H,31,33)