methyl 3-acetamido-1-(oxolan-2-ylmethyl)-5-(4-phenylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-acetamido-1-(oxolan-2-ylmethyl)-5-(4-phenylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-5-[(1-methyl-3-phenyl-propyl)amino]-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-1-(2-oxolanylmethyl)-5-(4-phenylbutan-2-ylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-1-(oxolan-2-ylmethyl)-5-(4-phenylbutan-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-5-[(1-methyl-3-phenyl-propyl)amino]-1-(tetrahydrofurfuryl)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C26H32N4O4 MolecularWeight: 464.55668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC2=CN=C3C(=C2)C(=C(N3CC4CCCO4)C(=O)OC)NC(=O)C

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC2=CN=C3C(=C2)C(=C(N3CC4CCCO4)C(=O)OC)NC(=O)C

InChI

InChI=1S/C26H32N4O4/c1-17(11-12-19-8-5-4-6-9-19)28-20-14-22-23(29-18(2)31)24(26(32)33-3)30(25(22)27-15-20)16-21-10-7-13-34-21/h4-6,8-9,14-15,17,21,28H,7,10-13,16H2,1-3H3,(H,29,31)