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

Systemtic Name: methyl 3-benzamido-5-[(5-ethylfuran-2-yl)methylamino]-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-5-[(5-ethyl-2-furyl)methylamino]-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-5-[(5-ethyl-2-furanyl)methylamino]-1-(2-oxolanylmethyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-5-[(5-ethylfuran-2-yl)methylamino]-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-5-[(5-ethyl-2-furyl)methylamino]-1-(tetrahydrofurfuryl)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C28H30N4O5 MolecularWeight: 502.5616

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)CNC2=CN=C3C(=C2)C(=C(N3CC4CCCO4)C(=O)OC)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(O1)CNC2=CN=C3C(=C2)C(=C(N3CC4CCCO4)C(=O)OC)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H30N4O5/c1-3-20-11-12-21(37-20)16-29-19-14-23-24(31-27(33)18-8-5-4-6-9-18)25(28(34)35-2)32(26(23)30-15-19)17-22-10-7-13-36-22/h4-6,8-9,11-12,14-15,22,29H,3,7,10,13,16-17H2,1-2H3,(H,31,33)