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

Systemtic Name: methyl 3-benzamido-5-(cyclohexylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-5-(cyclohexylamino)-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-5-(cyclohexylamino)-1-(2-oxolanylmethyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-5-(cyclohexylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-5-(cyclohexylamino)-1-(tetrahydrofurfuryl)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC(=CN=C2N1CC3CCCO3)NC4CCCCC4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=CC(=CN=C2N1CC3CCCO3)NC4CCCCC4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H32N4O4/c1-34-27(33)24-23(30-26(32)18-9-4-2-5-10-18)22-15-20(29-19-11-6-3-7-12-19)16-28-25(22)31(24)17-21-13-8-14-35-21/h2,4-5,9-10,15-16,19,21,29H,3,6-8,11-14,17H2,1H3,(H,30,32)