methyl 3-benzamido-1-(furan-2-ylmethyl)-5-[(4-methyl-4-oxidanyl-pentan-2-yl)amino]pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-benzamido-1-(furan-2-ylmethyl)-5-[(4-methyl-4-oxidanyl-pentan-2-yl)amino]pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-1-(2-furylmethyl)-5-[(3-hydroxy-1,3-dimethyl-butyl)amino]pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-1-(2-furanylmethyl)-5-[(4-hydroxy-4-methylpentan-2-yl)amino]-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-1-(furan-2-ylmethyl)-5-[(4-hydroxy-4-methylpentan-2-yl)amino]pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-1-(2-furfuryl)-5-[(3-hydroxy-1,3-dimethyl-butyl)amino]pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C27H30N4O5 MolecularWeight: 490.5509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(C)O)NC1=CN=C2C(=C1)C(=C(N2CC3=CC=CO3)C(=O)OC)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(CC(C)(C)O)NC1=CN=C2C(=C1)C(=C(N2CC3=CC=CO3)C(=O)OC)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H30N4O5/c1-17(14-27(2,3)34)29-19-13-21-22(30-25(32)18-9-6-5-7-10-18)23(26(33)35-4)31(24(21)28-15-19)16-20-11-8-12-36-20/h5-13,15,17,29,34H,14,16H2,1-4H3,(H,30,32)