methyl 3-benzamido-5-(1-oxidanylpropan-2-ylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-benzamido-5-(1-oxidanylpropan-2-ylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-5-[(2-hydroxy-1-methyl-ethyl)amino]-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-5-(1-hydroxypropan-2-ylamino)-1-(2-oxolanylmethyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-5-(1-hydroxypropan-2-ylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-5-[(2-hydroxy-1-methyl-ethyl)amino]-1-(tetrahydrofurfuryl)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C24H28N4O5 MolecularWeight: 452.50292

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC1=CN=C2C(=C1)C(=C(N2CC3CCCO3)C(=O)OC)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(CO)NC1=CN=C2C(=C1)C(=C(N2CC3CCCO3)C(=O)OC)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O5/c1-15(14-29)26-17-11-19-20(27-23(30)16-7-4-3-5-8-16)21(24(31)32-2)28(22(19)25-12-17)13-18-9-6-10-33-18/h3-5,7-8,11-12,15,18,26,29H,6,9-10,13-14H2,1-2H3,(H,27,30)