methyl 3-benzamido-5-[(3-methyl-3-oxidanyl-butan-2-yl)amino]-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-benzamido-5-[(3-methyl-3-oxidanyl-butan-2-yl)amino]-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-5-[(2-hydroxy-1,2-dimethyl-propyl)amino]-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-5-[(3-hydroxy-3-methylbutan-2-yl)amino]-1-(2-oxolanylmethyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-5-[(3-hydroxy-3-methylbutan-2-yl)amino]-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-5-[(2-hydroxy-1,2-dimethyl-propyl)amino]-1-(tetrahydrofurfuryl)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C26H32N4O5 MolecularWeight: 480.55608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O5/c1-16(26(2,3)33)28-18-13-20-21(29-24(31)17-9-6-5-7-10-17)22(25(32)34-4)30(23(20)27-14-18)15-19-11-8-12-35-19/h5-7,9-10,13-14,16,19,28,33H,8,11-12,15H2,1-4H3,(H,29,31)