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

Systemtic Name: methyl 3-acetamido-1-(oxolan-2-ylmethyl)-5-(3-phenylpropylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-5-(3-phenylpropylamino)-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-1-(2-oxolanylmethyl)-5-(3-phenylpropylamino)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-1-(oxolan-2-ylmethyl)-5-(3-phenylpropylamino)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-5-(3-phenylpropylamino)-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:

CC(=O)NC1=C(N(C2=NC=C(C=C12)NCCCC3=CC=CC=C3)CC4CCCO4)C(=O)OC

Isomeric SMILES

CC(=O)NC1=C(N(C2=NC=C(C=C12)NCCCC3=CC=CC=C3)CC4CCCO4)C(=O)OC

InChI

InChI=1S/C25H30N4O4/c1-17(30)28-22-21-14-19(26-12-6-10-18-8-4-3-5-9-18)15-27-24(21)29(23(22)25(31)32-2)16-20-11-7-13-33-20/h3-5,8-9,14-15,20,26H,6-7,10-13,16H2,1-2H3,(H,28,30)