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

Systemtic Name: methyl 3-acetamido-1-(3-methylbutyl)-5-(naphthalen-1-ylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-1-isopentyl-5-(1-naphthylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-1-(3-methylbutyl)-5-(1-naphthalenylmethylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-1-(3-methylbutyl)-5-(naphthalen-1-ylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-1-isoamyl-5-(1-naphthylmethylamino)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=C(C2=CC(=CN=C21)NCC3=CC=CC4=CC=CC=C43)NC(=O)C)C(=O)OC

Isomeric SMILES

CC(C)CCN1C(=C(C2=CC(=CN=C21)NCC3=CC=CC4=CC=CC=C43)NC(=O)C)C(=O)OC

InChI

InChI=1S/C27H30N4O3/c1-17(2)12-13-31-25(27(33)34-4)24(30-18(3)32)23-14-21(16-29-26(23)31)28-15-20-10-7-9-19-8-5-6-11-22(19)20/h5-11,14,16-17,28H,12-13,15H2,1-4H3,(H,30,32)