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

Systemtic Name: methyl 3-acetamido-5-(cyclohexylmethylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-5-(cyclohexylmethylamino)-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-5-(cyclohexylmethylamino)-1-(2-oxolanylmethyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-5-(cyclohexylmethylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-5-(cyclohexylmethylamino)-1-(tetrahydrofurfuryl)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C23H32N4O4 MolecularWeight: 428.52458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(N(C2=NC=C(C=C12)NCC3CCCCC3)CC4CCCO4)C(=O)OC

Isomeric SMILES

CC(=O)NC1=C(N(C2=NC=C(C=C12)NCC3CCCCC3)CC4CCCO4)C(=O)OC

InChI

InChI=1S/C23H32N4O4/c1-15(28)26-20-19-11-17(24-12-16-7-4-3-5-8-16)13-25-22(19)27(21(20)23(29)30-2)14-18-9-6-10-31-18/h11,13,16,18,24H,3-10,12,14H2,1-2H3,(H,26,28)