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

Systemtic Name: methyl 3-benzamido-5-(cycloheptylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-5-(cycloheptylamino)-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-5-(cycloheptylamino)-1-(2-oxolanylmethyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-5-(cycloheptylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-5-(cycloheptylamino)-1-(tetrahydrofurfuryl)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C28H34N4O4 MolecularWeight: 490.59396

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC(=CN=C2N1CC3CCCO3)NC4CCCCCC4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=CC(=CN=C2N1CC3CCCO3)NC4CCCCCC4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H34N4O4/c1-35-28(34)25-24(31-27(33)19-10-5-4-6-11-19)23-16-21(30-20-12-7-2-3-8-13-20)17-29-26(23)32(25)18-22-14-9-15-36-22/h4-6,10-11,16-17,20,22,30H,2-3,7-9,12-15,18H2,1H3,(H,31,33)