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

Systemtic Name: methyl 3-acetamido-5-(naphthalen-1-ylmethylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-acetamido-5-(1-naphthylmethylamino)-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-acetamido-5-(1-naphthalenylmethylamino)-1-(2-oxolanylmethyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-5-(naphthalen-1-ylmethylamino)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-acetamido-5-(1-naphthylmethylamino)-1-(tetrahydrofurfuryl)pyrrolo[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(N(C2=NC=C(C=C12)NCC3=CC=CC4=CC=CC=C43)CC5CCCO5)C(=O)OC

Isomeric SMILES

CC(=O)NC1=C(N(C2=NC=C(C=C12)NCC3=CC=CC4=CC=CC=C43)CC5CCCO5)C(=O)OC

InChI

InChI=1S/C27H28N4O4/c1-17(32)30-24-23-13-20(28-14-19-9-5-8-18-7-3-4-11-22(18)19)15-29-26(23)31(25(24)27(33)34-2)16-21-10-6-12-35-21/h3-5,7-9,11,13,15,21,28H,6,10,12,14,16H2,1-2H3,(H,30,32)