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

Systemtic Name: methyl 5-[(4-acetamidophenyl)methylamino]-3-benzamido-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 5-[(4-acetamidophenyl)methylamino]-3-benzamido-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 5-[(4-acetamidophenyl)methylamino]-3-benzamido-1-(2-oxolanylmethyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-acetamidophenyl)methylamino]-3-benzamido-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 5-[(4-acetamidobenzyl)amino]-3-benzamido-1-(tetrahydrofurfuryl)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C30H31N5O5 MolecularWeight: 541.59764

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNC2=CN=C3C(=C2)C(=C(N3CC4CCCO4)C(=O)OC)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC2=CN=C3C(=C2)C(=C(N3CC4CCCO4)C(=O)OC)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H31N5O5/c1-19(36)33-22-12-10-20(11-13-22)16-31-23-15-25-26(34-29(37)21-7-4-3-5-8-21)27(30(38)39-2)35(28(25)32-17-23)18-24-9-6-14-40-24/h3-5,7-8,10-13,15,17,24,31H,6,9,14,16,18H2,1-2H3,(H,33,36)(H,34,37)