methyl 3-acetamido-5-(2-adamantylamino)-1-(3-methylbutyl)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-acetamido-5-(2-adamantylamino)-1-(3-methylbutyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-5-(2-adamantylamino)-1-isopentyl-pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-5-(2-adamantylamino)-1-(3-methylbutyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-5-(2-adamantylamino)-1-(3-methylbutyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-5-(2-adamantylamino)-1-isoamyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C26H36N4O3 MolecularWeight: 452.58904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=C(C2=CC(=CN=C21)NC3C4CC5CC(C4)CC3C5)NC(=O)C)C(=O)OC

Isomeric SMILES

CC(C)CCN1C(=C(C2=CC(=CN=C21)NC3C4CC5CC(C4)CC3C5)NC(=O)C)C(=O)OC

InChI

InChI=1S/C26H36N4O3/c1-14(2)5-6-30-24(26(32)33-4)23(28-15(3)31)21-12-20(13-27-25(21)30)29-22-18-8-16-7-17(10-18)11-19(22)9-16/h12-14,16-19,22,29H,5-11H2,1-4H3,(H,28,31)