methyl 5-[(1-ethylpiperidin-4-yl)amino]-3-(oxolan-3-ylcarbonylamino)-1-phenethyl-pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 5-[(1-ethylpiperidin-4-yl)amino]-3-(oxolan-3-ylcarbonylamino)-1-phenethyl-pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-[(1-ethyl-4-piperidyl)amino]-1-phenethyl-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-[(1-ethyl-4-piperidinyl)amino]-3-[[oxo(3-oxolanyl)methyl]amino]-1-phenethyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(1-ethylpiperidin-4-yl)amino]-3-(oxolane-3-carbonylamino)-1-phenethylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-[(1-ethyl-4-piperidyl)amino]-1-phenethyl-3-(tetrahydrofuran-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C29H37N5O4 MolecularWeight: 519.63518

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)NC2=CN=C3C(=C2)C(=C(N3CCC4=CC=CC=C4)C(=O)OC)NC(=O)C5CCOC5

Isomeric SMILES

CCN1CCC(CC1)NC2=CN=C3C(=C2)C(=C(N3CCC4=CC=CC=C4)C(=O)OC)NC(=O)C5CCOC5

InChI

InChI=1S/C29H37N5O4/c1-3-33-13-10-22(11-14-33)31-23-17-24-25(32-28(35)21-12-16-38-19-21)26(29(36)37-2)34(27(24)30-18-23)15-9-20-7-5-4-6-8-20/h4-8,17-18,21-22,31H,3,9-16,19H2,1-2H3,(H,32,35)