methyl 3-acetamido-5-(2,3-dihydro-1H-inden-2-ylamino)-1-(3-methylbutyl)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-acetamido-5-(2,3-dihydro-1H-inden-2-ylamino)-1-(3-methylbutyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-5-(indan-2-ylamino)-1-isopentyl-pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-5-(2,3-dihydro-1H-inden-2-ylamino)-1-(3-methylbutyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-5-(2,3-dihydro-1H-inden-2-ylamino)-1-(3-methylbutyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-5-(indan-2-ylamino)-1-isoamyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=C(C2=CC(=CN=C21)NC3CC4=CC=CC=C4C3)NC(=O)C)C(=O)OC

Isomeric SMILES

CC(C)CCN1C(=C(C2=CC(=CN=C21)NC3CC4=CC=CC=C4C3)NC(=O)C)C(=O)OC

InChI

InChI=1S/C25H30N4O3/c1-15(2)9-10-29-23(25(31)32-4)22(27-16(3)30)21-13-20(14-26-24(21)29)28-19-11-17-7-5-6-8-18(17)12-19/h5-8,13-15,19,28H,9-12H2,1-4H3,(H,27,30)