methyl 3-acetamido-5-[4-(4-methoxyphenyl)butan-2-ylamino]-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-acetamido-5-[4-(4-methoxyphenyl)butan-2-ylamino]-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-5-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-5-[4-(4-methoxyphenyl)butan-2-ylamino]-1-methyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-5-[4-(4-methoxyphenyl)butan-2-ylamino]-1-methylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-5-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]-1-methyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C23H28N4O4 MolecularWeight: 424.49282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OC)NC2=CN=C3C(=C2)C(=C(N3C)C(=O)OC)NC(=O)C

Isomeric SMILES

CC(CCC1=CC=C(C=C1)OC)NC2=CN=C3C(=C2)C(=C(N3C)C(=O)OC)NC(=O)C

InChI

InChI=1S/C23H28N4O4/c1-14(6-7-16-8-10-18(30-4)11-9-16)25-17-12-19-20(26-15(2)28)21(23(29)31-5)27(3)22(19)24-13-17/h8-14,25H,6-7H2,1-5H3,(H,26,28)