methyl 3-benzamido-5-(4-methylpentan-2-ylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-benzamido-5-(4-methylpentan-2-ylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-5-(1,3-dimethylbutylamino)-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-5-(4-methylpentan-2-ylamino)-1-(2-oxolanylmethyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-5-(4-methylpentan-2-ylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-5-(1,3-dimethylbutylamino)-1-(tetrahydrofurfuryl)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)NC1=CN=C2C(=C1)C(=C(N2CC3CCCO3)C(=O)OC)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC(C)NC1=CN=C2C(=C1)C(=C(N2CC3CCCO3)C(=O)OC)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H34N4O4/c1-17(2)13-18(3)29-20-14-22-23(30-26(32)19-9-6-5-7-10-19)24(27(33)34-4)31(25(22)28-15-20)16-21-11-8-12-35-21/h5-7,9-10,14-15,17-18,21,29H,8,11-13,16H2,1-4H3,(H,30,32)