methyl 3-acetamido-5-[(4-ethylphenyl)methylamino]-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-acetamido-5-[(4-ethylphenyl)methylamino]-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-5-[(4-ethylphenyl)methylamino]-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-5-[(4-ethylphenyl)methylamino]-1-(2-oxolanylmethyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-5-[(4-ethylphenyl)methylamino]-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-5-[(4-ethylbenzyl)amino]-1-(tetrahydrofurfuryl)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC2=CN=C3C(=C2)C(=C(N3CC4CCCO4)C(=O)OC)NC(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)CNC2=CN=C3C(=C2)C(=C(N3CC4CCCO4)C(=O)OC)NC(=O)C

InChI

InChI=1S/C25H30N4O4/c1-4-17-7-9-18(10-8-17)13-26-19-12-21-22(28-16(2)30)23(25(31)32-3)29(24(21)27-14-19)15-20-6-5-11-33-20/h7-10,12,14,20,26H,4-6,11,13,15H2,1-3H3,(H,28,30)